![4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride structure](/static/products/5007/500730-49-4.webp)
4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride
TL;DR: 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride (CAS 500730-49-4) is a chemical compound with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutanoylamino)benzenesulfonyl chloride
Also Known As: 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride, 4-(3-methylbutanoylamino)benzenesulfonyl chloride, benzenesulfonyl chloride, 4-[(3-methyl-1-oxobutyl)amino]-, 4-(3-METHYLBUTANAMIDO)BENZENE-1-SULFONYL CHLORIDE
| Molecular Formula | C11H14ClNO3S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0383 |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 500730-49-4 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | LVLTUAJVVSTSQX-UHFFFAOYSA-N |
Product Overview
4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride (CAS 500730-49-4), with molecular formula C11H14ClNO3S and molecular weight 275.04 g/mol. IUPAC: 4-(3-methylbutanoylamino)benzenesulfonyl chloride.
Chemical Property Profile of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride
Property Insights of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride. Following Lipinski's Rule of Five, 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride has 1 hydrogen bond donor(s) and 3 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 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride?
The CAS number of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride is 500730-49-4.
What is the molecular formula of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride?
The molecular formula of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride is C11H14ClNO3S.
What is the molecular weight of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride?
The molecular weight of 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride is 275.04 g/mol.
Where can I buy 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride?
You can request a quote for 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Methylbutanoyl)amino]benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.