Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester
TL;DR: Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester (CAS 92033-58-4) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate
Also Known As: p-((Dimethylcarbamoylmethyl)amino)benzoic acid ethyl ester, ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate, BENZOIC ACID, p-((DIMETHYLCARBAMOYLMETHYL)AMINO)-, ETHYL ESTER, Ethyl 4-{[2-(dimethylamino)-2-oxoethyl]amino}benzoate, ETHYL 4-{[(DIMETHYLCARBAMOYL)METHYL]AMINO}BENZOATE
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 92033-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC(=O)N(C)C |
| InChIKey | VGPJDUTVFJMTOM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester (CAS 92033-58-4), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]benzoate.
Chemical Property Profile of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester
Property Insights of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester has 1 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-((dimethylcarbamoylmethyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester is 92033-58-4.
What is the molecular formula of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester is C13H18N2O3.
What is the molecular weight of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester is 250.13 g/mol.
Where can I buy Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, p-((dimethylcarbamoylmethyl)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-((dimethylcarbamoylmethyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-((dimethylcarbamoylmethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.