[email protected]
CAS 1096-38-4 16-Dehydroprogesterone molecular structure lightbox
CAS RN: 1096-38-4

16-Dehydroprogesterone

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 1g In stock Shanghai Inquiry
Batchno.20260615 500mg In stock Shanghai, Shandong Inquiry
Batchno.20250612 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1096-38-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1096-38-4 / (8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

16-Dehydroprogesterone | Pregna-4,16-diene-3,20-dione | 16,17-Didehydroprogesterone

Standard CAS: 1096-38-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1096-38-4
Multi CAS
Yes
Molecular Formula
C21H28O2
Molecular Weight
312.400000
Exact Mass
312.208930
SMILES
CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=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/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1
InChIKey
VRRHHTISESGZFN-RKFFNLMFSA-N
Synonyms
16-Dehydroprogesterone Pregna-4,16-diene-3,20-dione 16,17-Didehydroprogesterone 3,20-Dioxopregna-4,16-diene JU0YQ9DZ2O

Physical Properties

Melting Point
185 - 187 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
90.86
TPSA
34.14

LogP / Solubility

WLOGP
4.64
MLOGP
4.1
XLogP3
3.9
Consensus LogP
4.21
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (95.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (95.1%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us