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CAS 979-02-2 16-Dehydropregnenolone Acetate molecular structure lightbox
CAS RN: 979-02-2

16-Dehydropregnenolone Acetate

  • Product code: SSC-212393
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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: 25g
  • 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 979-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

979-02-2 / [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 979-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
979-02-2
Multi CAS
Yes
Molecular Formula
C23H32O3
Molecular Weight
356.500000
Exact Mass
356.235145
InChI
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
InChIKey
MZWRIOUCMXPLKV-RFOVXIPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.74
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
101.4
TPSA
43.37

LogP / Solubility

WLOGP
5.01
MLOGP
4.42
XLogP3
4.5
Consensus LogP
4.64
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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