丁基苯磺酸
TL;DR: 丁基苯磺酸 (CAS 31093-97-7) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基苯磺酸
2-butylbenzenesulfonic acid
Also Known As: 2-butylbenzenesulfonic Acid, butylbenzenesulfonic acid, Benzenesulfonic acid, butyl-, Benzenesulfonic acid,butyl, 2-butylbenzene-1-sulfonic acid
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 31093-97-7 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1S(=O)(=O)O |
| InChIKey | QFNSAOSWJSCHID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基苯磺酸 (CAS 31093-97-7), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2-butylbenzenesulfonic acid.
Chemical Property Profile of 丁基苯磺酸
Property Insights of 丁基苯磺酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基苯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁基苯磺酸. Following Lipinski's Rule of Five, 丁基苯磺酸 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 丁基苯磺酸?
The CAS number of 丁基苯磺酸 is 31093-97-7.
What is the molecular formula of 丁基苯磺酸?
The molecular formula of 丁基苯磺酸 is C10H14O3S.
What is the molecular weight of 丁基苯磺酸?
The molecular weight of 丁基苯磺酸 is 214.07 g/mol.
Where can I buy 丁基苯磺酸?
You can request a quote for 丁基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 丁基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.