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CAS 965-67-3 Androstan-17-one, 2,3-epoxy-, (2α,3α,5α)- molecular structure lightbox
CAS RN: 965-67-3

Androstan-17-one, 2,3-epoxy-, (2α,3α,5α)-

  • Product code: SSC-212019
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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: 1g
  • 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 965-67-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

965-67-3 / 2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one

Standard CAS: 965-67-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
965-67-3
Multi CAS
Yes
Molecular Formula
C19H28O2
Molecular Weight
288.400000
Exact Mass
288.208930
InChI
InChI=1S/C19H28O2/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-16H,3-10H2,1-2H3
InChIKey
WPLCXMVUVAWRQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.95
H-bond acceptors
2
Molar refractivity
80.78
TPSA
29.6

LogP / Solubility

WLOGP
3.98
MLOGP
3.51
XLogP3
3.7
Consensus LogP
3.73
Log S (ESOL)
-4.13
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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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