Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-
TL;DR: Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- (CAS 67827-70-7) is a chemical compound with molecular formula C13H18ClNO4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[acetyl(butyl)amino]-4-methoxybenzenesulfonyl chloride
Also Known As: Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-, 3-(Acetylamino)-N-butyl-4-methoxybenzenesulfonyl chloride, 3-[acetyl(butyl)amino]-4-methoxybenzenesulfonyl chloride, 3-(N-butylacetamido)-4-methoxybenzene-1-sulfonyl chloride, 3-[Acetyl(butyl)amino]-4-methoxybenzenesulfonic acid chloride
| Molecular Formula | C13H18ClNO4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.0645 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 67827-70-7 |
|---|---|
| SMILES | CCCCN(C1=C(C=CC(=C1)S(=O)(=O)Cl)OC)C(=O)C |
| InChIKey | VLTIFTBTSRFWQU-UHFFFAOYSA-N |
Product Overview
Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- (CAS 67827-70-7), with molecular formula C13H18ClNO4S and molecular weight 319.06 g/mol. IUPAC: 3-[acetyl(butyl)amino]-4-methoxybenzenesulfonyl chloride.
Chemical Property Profile of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-
Property Insights of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-. Following Lipinski's Rule of Five, Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- 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 Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-?
The CAS number of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- is 67827-70-7.
What is the molecular formula of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-?
The molecular formula of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- is C13H18ClNO4S.
What is the molecular weight of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-?
The molecular weight of Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- is 319.06 g/mol.
Where can I buy Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-?
You can request a quote for Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl chloride, 3-(acetylbutylamino)-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.