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CAS 15775-74-3 Progesterone-d9 molecular structure lightbox
CAS RN: 15775-74-3

Progesterone-d9

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Batchno.20251215 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS15775-74-3
  • Purity/Analytical Methods: >99.0%
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15775-74-3 / (8S,9S,10R,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Standard CAS: 15775-74-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15775-74-3
Multi CAS
No
Molecular Formula
C21H30O2
Molecular Weight
323.500000
Exact Mass
323.281071
SMILES
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])[2H])C)C
InChI
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i1D3,4D2,8D2,12D,17D
InChIKey
RJKFOVLPORLFTN-PQIPVKAESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
90.88
TPSA
34.14

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
3.9
Consensus LogP
4.26
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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