4-Butoxybenzenesulfonyl Chloride
TL;DR: 4-Butoxybenzenesulfonyl Chloride (CAS 1138-56-3) is a chemical compound with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxybenzenesulfonyl chloride
Also Known As: 4-(n-Butoxy)benzenesulfonyl chloride, 4-Butoxybenzenesulfonyl chloride, 4-butoxybenzene-1-sulfonyl chloride, Ethylpropionate, Benzenesulfonyl chloride, 4-butoxy-
| Molecular Formula | C10H13ClO3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.02739 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 1138-56-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | HGKWMUBXVMFXNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butoxybenzenesulfonyl Chloride (CAS 1138-56-3), with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol. IUPAC: 4-butoxybenzenesulfonyl chloride.
Chemical Property Profile of 4-Butoxybenzenesulfonyl Chloride
Property Insights of 4-Butoxybenzenesulfonyl Chloride
The XLogP value of 3.5 indicates that 4-Butoxybenzenesulfonyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Butoxybenzenesulfonyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxybenzenesulfonyl Chloride has 0 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-Butoxybenzenesulfonyl Chloride?
The CAS number of 4-Butoxybenzenesulfonyl Chloride is 1138-56-3.
What is the molecular formula of 4-Butoxybenzenesulfonyl Chloride?
The molecular formula of 4-Butoxybenzenesulfonyl Chloride is C10H13ClO3S.
What is the molecular weight of 4-Butoxybenzenesulfonyl Chloride?
The molecular weight of 4-Butoxybenzenesulfonyl Chloride is 248.03 g/mol.
Where can I buy 4-Butoxybenzenesulfonyl Chloride?
You can request a quote for 4-Butoxybenzenesulfonyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxybenzenesulfonyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxybenzenesulfonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.