[email protected]
CAS 119169-78-7 Epristeride molecular structure lightbox
CAS RN: 119169-78-7

Epristeride

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 10mg In stock Shanghai Inquiry
Batchno.20250314 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS119169-78-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

119169-78-7 / (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

Epristeride | Ono-9302 | Epristerida

Standard CAS: 119169-78-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119169-78-7
Multi CAS
Yes
Molecular Formula
C25H37NO3
Molecular Weight
399.600000
Exact Mass
399.277344
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=C4)C(=O)O)C
InChI
InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1
InChIKey
VAPSMQAHNAZRKC-PQWRYPMOSA-N
Synonyms
Epristeride Ono-9302 Epristerida SK&F 105657 SK&F-105657

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.76
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
114.19
TPSA
66.4

LogP / Solubility

WLOGP
5.1
MLOGP
4.51
XLogP3
5.1
Consensus LogP
4.9
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us