N-(苯甲基)-β-丙氨酸乙酯
TL;DR: N-(苯甲基)-β-丙氨酸乙酯 (CAS 23583-21-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(苯甲基)-β-丙氨酸乙酯
ethyl 3-(benzylamino)propanoate
Also Known As: Ethyl 3-(benzylamino)propanoate, Ethyl 3-(Benzylamino)propionate, Ethyl N-benzyl-beta-alaninate, N-Benzyl-beta-alanine Ethyl Ester, ethyl n-benzyl-
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 23583-21-3 |
|---|---|
| SMILES | CCOC(=O)CCNCC1=CC=CC=C1 |
| InChIKey | HCTJHQFFNDLDPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(苯甲基)-β-丙氨酸乙酯 (CAS 23583-21-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 3-(benzylamino)propanoate.
Chemical Property Profile of N-(苯甲基)-β-丙氨酸乙酯
Property Insights of N-(苯甲基)-β-丙氨酸乙酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(苯甲基)-β-丙氨酸乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, N-(苯甲基)-β-丙氨酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(苯甲基)-β-丙氨酸乙酯 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-(苯甲基)-β-丙氨酸乙酯?
The CAS number of N-(苯甲基)-β-丙氨酸乙酯 is 23583-21-3.
What is the molecular formula of N-(苯甲基)-β-丙氨酸乙酯?
The molecular formula of N-(苯甲基)-β-丙氨酸乙酯 is C12H17NO2.
What is the molecular weight of N-(苯甲基)-β-丙氨酸乙酯?
The molecular weight of N-(苯甲基)-β-丙氨酸乙酯 is 207.13 g/mol.
Where can I buy N-(苯甲基)-β-丙氨酸乙酯?
You can request a quote for N-(苯甲基)-β-丙氨酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(苯甲基)-β-丙氨酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-(苯甲基)-β-丙氨酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.