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BW 245C

CAT: 0926-XCA81432-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-XCA81432-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72814-32-5
MDL Number
MFCD31382199
Smiles
C1CCC (CC1) C (CCN2C (C (=O) NC2=O) CCCCCCC (=O) O) O
Molecular Formula
C19H32N2O5
Molecular Weight
368.47 g/mol
Controlled
No

Chemical Information

(R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid

(3R,4S)-BW 245C is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C. It is an enantiomer of a (3S,4R)-BW 245C.

CAS Number72814-32-5
PubChem CID3080928
IUPAC Name7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Molecular FormulaC19H32N2O5
Molecular Weight368.5
XLogP2.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity490
SMILES
C1CCC(CC1)[C@@H](CCN2[C@H](C(=O)NC2=O)CCCCCCC(=O)O)O
InChI
InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m0/s1
InChIKey
ZIDQIOZJEJFMOH-JKSUJKDBSA-N
Chemical Structure
2D Structure
2D structure of (R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
CAS: 72814-32-5
CID: 3080928
Formula: C19H32N2O5
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass368.23112213
Monoisotopic Mass368.23112213
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS387862-01BW 245C
A13494-100BW 245C 100mg
A13494-25BW 245C 25mg
A13494-1BW 245C 1mg
A13494-50BW 245C 50mg
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