Benzyl 3-(phenylmethoxyamino)propanoate
TL;DR: Benzyl 3-(phenylmethoxyamino)propanoate (CAS 88517-41-3) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(phenylmethoxyamino)propanoate
Also Known As: benzyl 3-(phenylmethoxyamino)propanoate, .beta.-Alanine, phenylmethyl ester, Benzyl N-(benzyloxy)-beta-alaninate, b-Alanine, N-(phenylmethoxy)-,phenylmethyl ester
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 88517-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCNOCC2=CC=CC=C2 |
| InChIKey | WPCRSBBJKWDNDY-UHFFFAOYSA-N |
Product Overview
Benzyl 3-(phenylmethoxyamino)propanoate (CAS 88517-41-3), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: benzyl 3-(phenylmethoxyamino)propanoate.
Chemical Property Profile of Benzyl 3-(phenylmethoxyamino)propanoate
Property Insights of Benzyl 3-(phenylmethoxyamino)propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-(phenylmethoxyamino)propanoate. With a topological polar surface area (TPSA) of 47.6 Ų, Benzyl 3-(phenylmethoxyamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-(phenylmethoxyamino)propanoate has 1 hydrogen bond donor(s) and 4 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 Benzyl 3-(phenylmethoxyamino)propanoate?
The CAS number of Benzyl 3-(phenylmethoxyamino)propanoate is 88517-41-3.
What is the molecular formula of Benzyl 3-(phenylmethoxyamino)propanoate?
The molecular formula of Benzyl 3-(phenylmethoxyamino)propanoate is C17H19NO3.
What is the molecular weight of Benzyl 3-(phenylmethoxyamino)propanoate?
The molecular weight of Benzyl 3-(phenylmethoxyamino)propanoate is 285.14 g/mol.
Where can I buy Benzyl 3-(phenylmethoxyamino)propanoate?
You can request a quote for Benzyl 3-(phenylmethoxyamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(phenylmethoxyamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(phenylmethoxyamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.