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Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester
TL;DR: Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester (CAS 7182-99-2) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzylideneamino)benzoate
Also Known As: ethyl 4-(benzylideneamino)benzoate, Benzoic acid, ethyl ester, Ethyl p-(N-benzylideneamino)benzoate, N-Benzylidene-p-ethoxycarbonylaniline, NCIOpen2_006489
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 7182-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2 |
| InChIKey | UEDPIABBBXACGR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester (CAS 7182-99-2), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: ethyl 4-(benzylideneamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester
Property Insights of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester 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 Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester?
The CAS number of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester is 7182-99-2.
What is the molecular formula of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester?
The molecular formula of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester is C16H15NO2.
What is the molecular weight of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester?
The molecular weight of Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester is 253.11 g/mol.
Where can I buy Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester?
You can request a quote for Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(phenylmethylene)amino]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.