[email protected]
CAS 196601-68-0 (R)-benzyl 1-(benzylaMino)-3-Methoxy-1-oxopropan-2-ylcarbaMate molecular structure lightbox
CAS RN: 196601-68-0

(R)-benzyl 1-(benzylaMino)-3-Methoxy-1-oxopropan-2-ylcarbaMate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS196601-68-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

196601-68-0 / benzyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

Standard CAS: 196601-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196601-68-0
Multi CAS
No
Molecular Formula
C19H22N2O4
Molecular Weight
342.400000
Exact Mass
342.157957
SMILES
COC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H22N2O4/c1-24-14-17(18(22)20-12-15-8-4-2-5-9-15)21-19(23)25-13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKey
BLCQPSZZLKONNI-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.72
TPSA
76.66

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us