邻枯烯磺酸
TL;DR: 邻枯烯磺酸 (CAS 45734-41-6) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻枯烯磺酸
2-propan-2-ylbenzenesulfonic acid
Also Known As: o-Cumenesulfonic acid, Cumenesulfonic acid, 2-propan-2-ylbenzenesulfonic Acid, o-Isopropylbenzenesulfonic acid, 2-isopropylbenzenesulfonic acid
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 45734-41-6 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1S(=O)(=O)O |
| InChIKey | JBVOQKNLGSOPNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻枯烯磺酸 (CAS 45734-41-6), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 2-propan-2-ylbenzenesulfonic acid.
Chemical Property Profile of 邻枯烯磺酸
Property Insights of 邻枯烯磺酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻枯烯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻枯烯磺酸. Following Lipinski's Rule of Five, 邻枯烯磺酸 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 邻枯烯磺酸?
The CAS number of 邻枯烯磺酸 is 45734-41-6.
What is the molecular formula of 邻枯烯磺酸?
The molecular formula of 邻枯烯磺酸 is C9H12O3S.
What is the molecular weight of 邻枯烯磺酸?
The molecular weight of 邻枯烯磺酸 is 200.05 g/mol.
Where can I buy 邻枯烯磺酸?
You can request a quote for 邻枯烯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻枯烯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 邻枯烯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.