1-Butanesulfonic acid, 4-phenoxy-
TL;DR: 1-Butanesulfonic acid, 4-phenoxy- (CAS 51891-03-3) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenoxybutane-1-sulfonic acid
Also Known As: 4-Phenoxybutylsulfonic acid, 1-Butanesulfonic acid, 4-phenoxy-, 4-phenoxybutane-1-sulfonic acid
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.7334 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 371.66867 |
Chemical Identifiers
| CAS Number | 51891-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCS(=O)(=O)O |
Product Overview
1-Butanesulfonic acid, 4-phenoxy- (CAS 51891-03-3), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: 4-phenoxybutane-1-sulfonic acid.
Chemical Property Profile of 1-Butanesulfonic acid, 4-phenoxy-
Property Insights of 1-Butanesulfonic acid, 4-phenoxy-
The XLogP value of 1.7334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanesulfonic acid, 4-phenoxy-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanesulfonic acid, 4-phenoxy-. Following Lipinski's Rule of Five, 1-Butanesulfonic acid, 4-phenoxy- 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 1-Butanesulfonic acid, 4-phenoxy-?
The CAS number of 1-Butanesulfonic acid, 4-phenoxy- is 51891-03-3.
What is the molecular formula of 1-Butanesulfonic acid, 4-phenoxy-?
The molecular formula of 1-Butanesulfonic acid, 4-phenoxy- is C10H14O4S.
What is the molecular weight of 1-Butanesulfonic acid, 4-phenoxy-?
The molecular weight of 1-Butanesulfonic acid, 4-phenoxy- is 230.06 g/mol.
Where can I buy 1-Butanesulfonic acid, 4-phenoxy-?
You can request a quote for 1-Butanesulfonic acid, 4-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanesulfonic acid, 4-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanesulfonic acid, 4-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.