Alanine, N-benzyl methyl ester, L-
TL;DR: Alanine, N-benzyl methyl ester, L- (CAS 2499-31-2) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Also Known As: Z-Thr-Ala-OMe, L-Alanine, methyl ester, Alanine, N-benzyl methyl ester, L-, N-Phenylmethoxycarbonyl-L-Thr-L-Ala-OMe, methyl n-[(benzyloxy)carbonyl]threonylalaninate
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 2499-31-2 |
|---|---|
| SMILES | CC(C(C(=O)NC(C)C(=O)OC)NC(=O)OCC1=CC=CC=C1)O |
| InChIKey | TYQCBAAOCMMFDK-UHFFFAOYSA-N |
Product Overview
Alanine, N-benzyl methyl ester, L- (CAS 2499-31-2), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: methyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate.
Chemical Property Profile of Alanine, N-benzyl methyl ester, L-
Property Insights of Alanine, N-benzyl methyl ester, L-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-benzyl methyl ester, L-. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-benzyl methyl ester, L-. Following Lipinski's Rule of Five, Alanine, N-benzyl methyl ester, L- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanine, N-benzyl methyl ester, L-?
The CAS number of Alanine, N-benzyl methyl ester, L- is 2499-31-2.
What is the molecular formula of Alanine, N-benzyl methyl ester, L-?
The molecular formula of Alanine, N-benzyl methyl ester, L- is C16H22N2O6.
What is the molecular weight of Alanine, N-benzyl methyl ester, L-?
The molecular weight of Alanine, N-benzyl methyl ester, L- is 338.15 g/mol.
Where can I buy Alanine, N-benzyl methyl ester, L-?
You can request a quote for Alanine, N-benzyl methyl ester, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzyl methyl ester, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzyl methyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.