[email protected]
CAS 144332-60-5 N-CARBOBENZYLOXY-N,2-DIMETHYLALANINE molecular structure lightbox
CAS RN: 144332-60-5

N-CARBOBENZYLOXY-N,2-DIMETHYLALANINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS144332-60-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

144332-60-5 / 2-methyl-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid

Standard CAS: 144332-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144332-60-5
Multi CAS
No
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
SMILES
CC(C)(C(=O)O)N(C)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H17NO4/c1-13(2,11(15)16)14(3)12(17)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)
InChIKey
QCDSXBNEBTVGTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.1
TPSA
66.84

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us