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Estradiol-3,17-beta-dibutyrate

CAT: 1459-CS-O-43731Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-43731Size:1 Each
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Description
Estradiol-3,17-beta-dibutyrate is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Estradiol. The product is supplied by Clearsynth under CAT No. CS-O-43731. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
63042-23-9
Synonyms
Estradiol-3,17-beta-dibutyrate
Molecular Formula
C 26 H 36 O 4
Molecular Weight
412.57
Additionnal Information
Estradiol-3,17-beta-dibutyrate is supplied with detailed characterization data compliant with regulatory guideline. Estradiol-3,17-beta-dibutyrate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Estradiol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Estra-1,3,5(10)-triene-3,17beta-diol dibutyrate
CAS Number63042-23-9
PubChem CID6454502
IUPAC Name[(8R,9S,13S,14S,17S)-3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate
Molecular FormulaC26H36O4
Molecular Weight412.6
XLogP5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity631
SMILES
CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCC)C
InChI
InChI=1S/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3/t20-,21-,22+,23+,26+/m1/s1
InChIKey
KCWOSNZFDYZBNP-IOCWQACJSA-N
Chemical Structure
2D Structure
2D structure of Estra-1,3,5(10)-triene-3,17beta-diol dibutyrate
CAS: 63042-23-9
CID: 6454502
Formula: C26H36O4
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass412.26135963
Monoisotopic Mass412.26135963
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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