Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester
TL;DR: Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester (CAS 95766-85-1) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-(methylamino)-2-oxoethyl]amino]benzoate
Also Known As: p-((Methylcarbamoylmethyl)amino)benzoic acid ethyl ester, BENZOIC ACID, p-((METHYLCARBAMOYLMETHYL)AMINO)-, ETHYL ESTER, ethyl 4-[[2-(methylamino)-2-oxoethyl]amino]benzoate, ethyl 4-{[2-(methylamino)-2-oxoethyl]amino}benzoate, ETHYL 4-{[(METHYLCARBAMOYL)METHYL]AMINO}BENZOATE
Technical Specifications
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.11609 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.11609 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC |
| InChIKey | LHTLHMKLDVSLQT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester
Property Insights of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester has 2 hydrogen bond donor(s) and 4 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, p-((methylcarbamoylmethyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester is 95766-85-1.
What is the molecular formula of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester is C12H16N2O3.
What is the molecular weight of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester is 236.11609 g/mol.
Where can I buy Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-((methylcarbamoylmethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.