[email protected]
CAS 2697127-16-3 3-Deoxy-3-acetyl abiraterone-3-ene molecular structure lightbox
CAS RN: 2697127-16-3

3-Deoxy-3-acetyl abiraterone-3-ene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2697127-16-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2697127-16-3 / 1-[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone

Standard CAS: 2697127-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2697127-16-3
Multi CAS
No
Molecular Formula
C26H31NO
Molecular Weight
373.500000
Exact Mass
373.240565
SMILES
CC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C
InChI
InChI=1S/C26H31NO/c1-17(28)18-10-12-25(2)20(15-18)6-7-21-23-9-8-22(19-5-4-14-27-16-19)26(23,3)13-11-24(21)25/h4-6,8,14-16,21,23-24H,7,9-13H2,1-3H3/t21-,23-,24-,25-,26+/m0/s1
InChIKey
OEPAMUSCEIIABQ-YZUYXXDVSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
113.45
TPSA
29.96

LogP / Solubility

WLOGP
6.16
MLOGP
5.44
XLogP3
5.3
Consensus LogP
5.63
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.62

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us