![Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate structure](/static/products/1034/1034806-51-3.webp)
Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate
TL;DR: Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate (CAS 1034806-51-3) is a chemical compound with molecular formula C15H20N2O6S and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate
Also Known As: METHYL 2-(2-ACETAMIDO-4-METHANESULFONYLBUTANAMIDO)BENZOATE, methyl 2-(2-acetamido-4-(methylsulfonyl)butanamido)benzoate, methyl 2-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate, methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate
| Molecular Formula | C15H20N2O6S |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 0.3511 |
| Topological Polar Surface Area | 118.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.10422 |
| Heavy Atoms | 24 |
| Complexity | 729.23474 |
Chemical Identifiers
| CAS Number | 1034806-51-3 |
|---|---|
| SMILES | CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate (CAS 1034806-51-3), with molecular formula C15H20N2O6S and molecular weight 356.10 g/mol. IUPAC: methyl 2-[(2-acetamido-4-methylsulfonylbutanoyl)amino]benzoate.
Chemical Property Profile of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate
Property Insights of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate
The XLogP value of 0.3511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate. The TPSA of 118.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}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 Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate?
The CAS number of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate is 1034806-51-3.
What is the molecular formula of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate?
The molecular formula of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate is C15H20N2O6S.
What is the molecular weight of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate?
The molecular weight of Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate is 356.10 g/mol.
Where can I buy Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate?
You can request a quote for Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-(acetylamino)-4-(methylsulfonyl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.