[email protected]
CAS 264235-79-2 (R)-ethyl 3-aMino-2-(((benzyloxy)carbonyl)aMino)propanoate hydrochloride molecular structure lightbox
CAS RN: 264235-79-2

(R)-ethyl 3-aMino-2-(((benzyloxy)carbonyl)aMino)propanoate hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS264235-79-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

264235-79-2 / ethyl 3-amino-2-(phenylmethoxycarbonylamino)propanoate;hydrochloride

Standard CAS: 264235-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
264235-79-2
Multi CAS
No
Molecular Formula
C13H19ClN2O4
Molecular Weight
302.750000
Exact Mass
302.103335
SMILES
CCOC(=O)C(CN)NC(=O)OCC1=CC=CC=C1.Cl
InChI
InChI=1S/C13H18N2O4.ClH/c1-2-18-12(16)11(8-14)15-13(17)19-9-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,14H2,1H3,(H,15,17);1H
InChIKey
WFFNRMTWMDBKDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.49
TPSA
90.65

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.23
Consensus LogP
1.18
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us