Methyl N-(phenylmethylidene)-beta-alaninate
TL;DR: Methyl N-(phenylmethylidene)-beta-alaninate (CAS 138495-06-4) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzylideneamino)propanoate
Also Known As: N-benzyliden-beta-alanine methyl ester, methyl 3-(benzylideneamino)propanoate, Methyl (E)-N-benzylidene-beta-alaninate, Methyl N-(phenylmethylidene)-.beta.-alaninate, Methyl N-(phenylmethylidene)-beta-alaninate
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.6686 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 306.3234 |
Chemical Identifiers
| CAS Number | 138495-06-4 |
|---|---|
| SMILES | COC(=O)CCN=CC1=CC=CC=C1 |
Product Overview
Methyl N-(phenylmethylidene)-beta-alaninate (CAS 138495-06-4), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: methyl 3-(benzylideneamino)propanoate.
Chemical Property Profile of Methyl N-(phenylmethylidene)-beta-alaninate
Property Insights of Methyl N-(phenylmethylidene)-beta-alaninate
The XLogP value of 1.6686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(phenylmethylidene)-beta-alaninate. With a topological polar surface area (TPSA) of 38.66 Ų, Methyl N-(phenylmethylidene)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(phenylmethylidene)-beta-alaninate has 0 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 Methyl N-(phenylmethylidene)-beta-alaninate?
The CAS number of Methyl N-(phenylmethylidene)-beta-alaninate is 138495-06-4.
What is the molecular formula of Methyl N-(phenylmethylidene)-beta-alaninate?
The molecular formula of Methyl N-(phenylmethylidene)-beta-alaninate is C11H13NO2.
What is the molecular weight of Methyl N-(phenylmethylidene)-beta-alaninate?
The molecular weight of Methyl N-(phenylmethylidene)-beta-alaninate is 191.09 g/mol.
Where can I buy Methyl N-(phenylmethylidene)-beta-alaninate?
You can request a quote for Methyl N-(phenylmethylidene)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(phenylmethylidene)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(phenylmethylidene)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.