Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester
TL;DR: Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester (CAS 97021-19-7) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate
Also Known As: GB 404, p-(N-(1-(Dimethylcarbamoyl)ethyl)acetamido)benzoic acid ethyl ester, BENZOIC ACID, p-(N-(1-(DIMETHYLCARBAMOYL)ETHYL)ACETAMIDO)-, ETHYL ESTER, ethyl 4-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate, Ethyl 4-{acetyl[1-(dimethylamino)-1-oxopropan-2-yl]amino}benzoate
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 97021-19-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(C(C)C(=O)N(C)C)C(=O)C |
| InChIKey | WDQRDEBMPODPPU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester (CAS 97021-19-7), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: ethyl 4-[acetyl-[1-(dimethylamino)-1-oxopropan-2-yl]amino]benzoate.
Chemical Property Profile of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester
Property Insights of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, 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-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester?
The CAS number of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester is 97021-19-7.
What is the molecular formula of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester?
The molecular formula of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester is C16H22N2O4.
What is the molecular weight of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester?
The molecular weight of Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester is 306.16 g/mol.
Where can I buy Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester?
You can request a quote for Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, 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-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(N-(1-(dimethylcarbamoyl)ethyl)acetamido)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.