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CAS 1162-56-7 Pregna-4,6-diene-3,20-dione molecular structure lightbox
CAS RN: 1162-56-7

Pregna-4,6-diene-3,20-dione

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 1g In stock Shandong Inquiry
Batchno.20250529 200mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250302 25g In stock Shanghai Inquiry
Batchno.20250513 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-016326
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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: 10g
  • Available purity: ＞97%
  • 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 1162-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

1162-56-7 / (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

MLS002695106 | NCIOpen2_009977 | HMS5086F06

Standard CAS: 1162-56-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1162-56-7
Multi CAS
Yes
Molecular Formula
C21H28O2
Molecular Weight
312.400000
Exact Mass
312.208930
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey
JGMOKGBVKVMRFX-LEKSSAKUSA-N
Synonyms
MLS002695106 NCIOpen2_009977 HMS5086F06 17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one SMR001561018

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
90.79
TPSA
34.14

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
3.8
Consensus LogP
4.09
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
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)
-1.43

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
Danger
GHS Hazard Statements
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H360FD (100%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P280, P318, P405, and P501

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