N-苯基-β-丙氨酸甲酯
TL;DR: N-苯基-β-丙氨酸甲酯 (CAS 21911-84-2) 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.
N-苯基-β-丙氨酸甲酯
methyl 3-anilinopropanoate
Also Known As: METHYL 3-(PHENYLAMINO)PROPANOATE, methyl 3-anilinopropanoate, 3-PHENYLAMINO-PROPIONIC ACID METHYL ESTER, Methyl N-phenyl-beta-alaninate, methyl 3-anilinopropionate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 21911-84-2 |
|---|---|
| SMILES | COC(=O)CCNC1=CC=CC=C1 |
| InChIKey | TWAMXXLZDQNMCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苯基-β-丙氨酸甲酯 (CAS 21911-84-2), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 3-anilinopropanoate.
Chemical Property Profile of N-苯基-β-丙氨酸甲酯
Property Insights of N-苯基-β-丙氨酸甲酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苯基-β-丙氨酸甲酯. With a topological polar surface area (TPSA) of 38.3 Ų, N-苯基-β-丙氨酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苯基-β-丙氨酸甲酯 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 N-苯基-β-丙氨酸甲酯?
The CAS number of N-苯基-β-丙氨酸甲酯 is 21911-84-2.
What is the molecular formula of N-苯基-β-丙氨酸甲酯?
The molecular formula of N-苯基-β-丙氨酸甲酯 is C10H13NO2.
What is the molecular weight of N-苯基-β-丙氨酸甲酯?
The molecular weight of N-苯基-β-丙氨酸甲酯 is 179.09 g/mol.
Where can I buy N-苯基-β-丙氨酸甲酯?
You can request a quote for N-苯基-β-丙氨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苯基-β-丙氨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for N-苯基-β-丙氨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.