3-(氯羰基)苯磺酸
TL;DR: 3-(氯羰基)苯磺酸 (CAS 58261-80-6) is a chemical compound with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(氯羰基)苯磺酸
3-carbonochloridoylbenzenesulfonic acid
Also Known As: m-(Chlorocarbonyl)benzenesulphonic acid, 3-carbonochloridoylbenzenesulfonic acid, 3-(chlorocarbonyl)benzenesulfonic acid, 3-Chlorcarbonyl-benzolsulfonsaeure, 3-Chloroformylbenzenesulfonic acid
| Molecular Formula | C7H5ClO4S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.9597 |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 58261-80-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)Cl |
| InChIKey | WRHCKIKUFJDDPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(氯羰基)苯磺酸 (CAS 58261-80-6), with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol. IUPAC: 3-carbonochloridoylbenzenesulfonic acid.
Chemical Property Profile of 3-(氯羰基)苯磺酸
Property Insights of 3-(氯羰基)苯磺酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(氯羰基)苯磺酸. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(氯羰基)苯磺酸. Following Lipinski's Rule of Five, 间(氯羰基)苯磺酸 has 1 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 间(氯羰基)苯磺酸?
The CAS number of 间(氯羰基)苯磺酸 is 58261-80-6.
What is the molecular formula of 间(氯羰基)苯磺酸?
The molecular formula of 间(氯羰基)苯磺酸 is C7H5ClO4S.
What is the molecular weight of 间(氯羰基)苯磺酸?
The molecular weight of 间(氯羰基)苯磺酸 is 219.96 g/mol.
Where can I buy 间(氯羰基)苯磺酸?
You can request a quote for 间(氯羰基)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 间(氯羰基)苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 间(氯羰基)苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.