Methyl 4-(benzylideneamino)benzoate
TL;DR: Methyl 4-(benzylideneamino)benzoate (CAS 4112-09-8) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzylideneamino)benzoate
Also Known As: Methyl 4-(benzylideneamino)benzoate, Methyl 4-[(E)-benzylideneamino]benzoate, methyl 4-[(phenylmethylidene)amino]benzoate, 4-(Benzylideneamino)benzoic acid methyl ester, J3.506.050B
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.2238 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 544.4661 |
Chemical Identifiers
| CAS Number | 4112-09-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2 |
Product Overview
Methyl 4-(benzylideneamino)benzoate (CAS 4112-09-8), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: methyl 4-(benzylideneamino)benzoate.
Chemical Property Profile of Methyl 4-(benzylideneamino)benzoate
Property Insights of Methyl 4-(benzylideneamino)benzoate
The XLogP value of 3.2238 indicates that Methyl 4-(benzylideneamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, Methyl 4-(benzylideneamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(benzylideneamino)benzoate 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 4-(benzylideneamino)benzoate?
The CAS number of Methyl 4-(benzylideneamino)benzoate is 4112-09-8.
What is the molecular formula of Methyl 4-(benzylideneamino)benzoate?
The molecular formula of Methyl 4-(benzylideneamino)benzoate is C15H13NO2.
What is the molecular weight of Methyl 4-(benzylideneamino)benzoate?
The molecular weight of Methyl 4-(benzylideneamino)benzoate is 239.09 g/mol.
Where can I buy Methyl 4-(benzylideneamino)benzoate?
You can request a quote for Methyl 4-(benzylideneamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(benzylideneamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(benzylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.