[email protected]
CAS 935525-13-6 (alphaS)-N-[(1S)-2-[[(5S)-4,5-Dihydro-3-methyl-4-oxo-3H-2,3-benzodiazepin-5-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxybenzeneacetamide molecular structure lightbox
CAS RN: 935525-13-6

(alphaS)-N-[(1S)-2-[[(5S)-4,5-Dihydro-3-methyl-4-oxo-3H-2,3-benzodiazepin-5-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-alpha-hydroxybenzeneacetamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260308 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS935525-13-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

935525-13-6 / (2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(5S)-3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl]propanamide

Standard CAS: 935525-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
935525-13-6
Multi CAS
Yes
Molecular Formula
C21F2H20N4O4
Molecular Weight
430.400000
Exact Mass
430.145261
InChI
InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1
InChIKey
HXEHCCYOTHDPPI-NBHSMZAVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
106.61
TPSA
111.1

LogP / Solubility

WLOGP
1.17
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us