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CAS 5295-66-9 5ALPHA-ANDROSTAN-17BETA-OL-3-ONE-2,2,4,4-D4 molecular structure lightbox
CAS RN: 5295-66-9

5ALPHA-ANDROSTAN-17BETA-OL-3-ONE-2,2,4,4-D4

  • Product code: SSC-160104
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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 5295-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Shenzhen Inquiry

5295-66-9 / (5S,8R,9S,10S,13S,14S,17S)-2,2,4,4-tetradeuterio-17-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 5295-66-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5295-66-9
Multi CAS
Yes
Molecular Formula
C19H30O2
Molecular Weight
294.500000
Exact Mass
294.249687
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1/i7D2,11D2
InChIKey
NVKAWKQGWWIWPM-FVMZMTMBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.95
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.74
TPSA
37.3

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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