Benzoic acid, 2-(ethylideneamino)-, methyl ester
TL;DR: Benzoic acid, 2-(ethylideneamino)-, methyl ester (CAS 68556-21-8) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(ethylideneamino)benzoate
Also Known As: Ethylidene methyl anthranilate, Methyl 2-(ethylideneamino)benzoate, Benzoic acid, 2-(ethylideneamino)-, methyl ester, methyl 2-[(1e)-ethylideneamino]benzoate, 2-(Ethylideneamino)benzoic acid methyl ester
Technical Specifications
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | CC=NC1=CC=CC=C1C(=O)OC |
| InChIKey | CARKMBGHKLICNI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(ethylideneamino)-, methyl ester
Property Insights of Benzoic acid, 2-(ethylideneamino)-, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(ethylideneamino)-, methyl ester. With a topological polar surface area (TPSA) of 38.7 Ų, Benzoic acid, 2-(ethylideneamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(ethylideneamino)-, methyl 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
What is the CAS number of Benzoic acid, 2-(ethylideneamino)-, methyl ester?
The CAS number of Benzoic acid, 2-(ethylideneamino)-, methyl ester is 68556-21-8.
What is the molecular formula of Benzoic acid, 2-(ethylideneamino)-, methyl ester?
The molecular formula of Benzoic acid, 2-(ethylideneamino)-, methyl ester is C10H11NO2.
What is the molecular weight of Benzoic acid, 2-(ethylideneamino)-, methyl ester?
The molecular weight of Benzoic acid, 2-(ethylideneamino)-, methyl ester is 177.07898 g/mol.
Where can I buy Benzoic acid, 2-(ethylideneamino)-, methyl ester?
You can request a quote for Benzoic acid, 2-(ethylideneamino)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(ethylideneamino)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(ethylideneamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.