Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate
TL;DR: Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate (CAS 1044595-45-0) is a chemical compound with molecular formula C16H22N2O6S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate
Also Known As: ETHYL 4-(2-ACETAMIDO-4-METHANESULFONYLBUTANAMIDO)BENZOATE, ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate, ethyl 4-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate, F0610-0043, Ethyl 4-[(2-acetamido-4-methylsulfonyl-butanoyl)amino]benzoate
| Molecular Formula | C16H22N2O6S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 0.7412 |
| Topological Polar Surface Area | 118.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.11984 |
| Heavy Atoms | 25 |
| Complexity | 727.49677 |
Chemical Identifiers
| CAS Number | 1044595-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C |
Product Overview
Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate (CAS 1044595-45-0), with molecular formula C16H22N2O6S and molecular weight 370.12 g/mol. IUPAC: ethyl 4-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate
Property Insights of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate
The XLogP value of 0.7412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate. The TPSA of 118.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate has 2 hydrogen bond donor(s) and 6 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 Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate?
The CAS number of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate is 1044595-45-0.
What is the molecular formula of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate?
The molecular formula of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate is C16H22N2O6S.
What is the molecular weight of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate?
The molecular weight of Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate is 370.12 g/mol.
Where can I buy Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate?
You can request a quote for Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.