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Crinecerfont

CAT: 0013-GTR19171450-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171450-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Crinecerfont
CAS Number
752253-39-7
Product Name Alternative
SSR 125543, SSR 125543A, SSR125543, SSR-125543, SSR125543A, SSR-125543A, Crinecerfont, CRF1
Field of Research
Pharmacology & Drug Discovery
Purity
97.79% (May vary between batches)
Solubility
DMSO:45 mg/mL (93.16 mM)
Smiles
[C@H] (N (CC#C) C1=NC (=C (C) S1) C2=C (Cl) C=C (OC) C (C) =C2) (CC3CC3) C4=CC (F) =C (C) C=C4
Molecular Formula
C27H28ClFN2OS
Molecular Weight
483.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2-Chloro-4-methoxy-5-methylphenyl)-N-((1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-2-propyn-1-yl-2-thiazolamine

SSR 125543 is an amine.

CAS Number752253-39-7
PubChem CID5282340
IUPAC Name4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
Molecular FormulaC27H28ClFN2OS
Molecular Weight483.0
XLogP8
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity699
SMILES
CC1=C(C=C(C=C1)[C@H](CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F
InChI
InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
InChIKey
IEAKXXNRGSLYTQ-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Chloro-4-methoxy-5-methylphenyl)-N-((1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-2-propyn-1-yl-2-thiazolamine
CAS: 752253-39-7
CID: 5282340
Formula: C27H28ClFN2OS
MW: 483.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.0
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass482.1594906
Monoisotopic Mass482.1594906
Topological Polar Surface Area53.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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