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CAS 850023-80-2 17α-Hydroxyprogesterone-D8 (2,2,4,6,6,21,21,21-D8) molecular structure lightbox
CAS RN: 850023-80-2

17α-Hydroxyprogesterone-D8 (2,2,4,6,6,21,21,21-D8)

  • Product code: SSC-192853
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.001g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 850023-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Beijing Inquiry

850023-80-2 / 17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Standard CAS: 850023-80-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850023-80-2
Multi CAS
Yes
Molecular Formula
C21H30O3
Molecular Weight
330.500000
Exact Mass
330.219495
InChI
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3
InChIKey
DBPWSSGDRRHUNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.34
TPSA
54.37

LogP / Solubility

WLOGP
3.84
MLOGP
3.39
XLogP3
3.2
Consensus LogP
3.48
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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