Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester
TL;DR: Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester (CAS 25927-67-7) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(pyridin-3-ylmethylideneamino)benzoate
Also Known As: Ethyl 4-((3-pyridinylmethylene)amino)benzoate, Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester, ethyl 4-(pyridin-3-ylmethylideneamino)benzoate, Benzoic acid, 4-((3-pyridinylmethylene)amino)-, ethyl ester, ethyl 4-{[(e)-pyridin-3-ylmethylidene]amino}benzoate
| Molecular Formula | C15H14N2O2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.10553 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 25927-67-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CN=CC=C2 |
| InChIKey | GNIJCDQVSPKPCR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester (CAS 25927-67-7), with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol. IUPAC: ethyl 4-(pyridin-3-ylmethylideneamino)benzoate.
Chemical Property Profile of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester
Property Insights of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester has 0 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 Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester?
The CAS number of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester is 25927-67-7.
What is the molecular formula of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester?
The molecular formula of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester is C15H14N2O2.
What is the molecular weight of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester?
The molecular weight of Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester is 254.11 g/mol.
Where can I buy Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester?
You can request a quote for Benzoic acid, p-((3-pyridylmethylene)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, p-((3-pyridylmethylene)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-((3-pyridylmethylene)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.