D-Alanine, phenylmethyl ester
TL;DR: D-Alanine, phenylmethyl ester (CAS 17831-02-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2R)-2-aminopropanoate
Also Known As: benzyl (2R)-2-aminopropanoate, D-alanine benzyl ester, benzyl D-alaninate, D-Alanine, phenylmethyl ester, D-alanine, benzyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 17831-02-6 |
|---|---|
| SMILES | C[C@H](C(=O)OCC1=CC=CC=C1)N |
| InChIKey | YGYLYUIRSJSFJS-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D-Alanine, phenylmethyl ester (CAS 17831-02-6), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: benzyl (2R)-2-aminopropanoate.
Chemical Property Profile of D-Alanine, phenylmethyl ester
Property Insights of D-Alanine, phenylmethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Alanine, phenylmethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, D-Alanine, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D-Alanine, phenylmethyl ester has 1 hydrogen bond donor(s) and 3 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 D-Alanine, phenylmethyl ester?
The CAS number of D-Alanine, phenylmethyl ester is 17831-02-6.
What is the molecular formula of D-Alanine, phenylmethyl ester?
The molecular formula of D-Alanine, phenylmethyl ester is C10H13NO2.
What is the molecular weight of D-Alanine, phenylmethyl ester?
The molecular weight of D-Alanine, phenylmethyl ester is 179.09 g/mol.
Where can I buy D-Alanine, phenylmethyl ester?
You can request a quote for D-Alanine, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Alanine, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for D-Alanine, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.