2-(氯磺酰)苯甲酸甲酯
TL;DR: 2-(氯磺酰)苯甲酸甲酯 (CAS 26638-43-7) is a chemical compound with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氯磺酰)苯甲酸甲酯
methyl 2-chlorosulfonylbenzoate
Also Known As: Methyl 2-(chlorosulfonyl)benzoate, methyl 2-chlorosulfonylbenzoate, Benzoic acid, 2-(chlorosulfonyl)-, methyl ester, methyl2-(chlorosulfonyl)benzoate, methyl 2-chiorosulfonylbenzoate
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 26638-43-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)Cl |
| InChIKey | HUNUAFNLLYVTQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(氯磺酰)苯甲酸甲酯 (CAS 26638-43-7), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: methyl 2-chlorosulfonylbenzoate.
Chemical Property Profile of 2-(氯磺酰)苯甲酸甲酯
Property Insights of 2-(氯磺酰)苯甲酸甲酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氯磺酰)苯甲酸甲酯. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(氯磺酰)苯甲酸甲酯. Following Lipinski's Rule of Five, 2-(氯磺酰)苯甲酸甲酯 has 0 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 2-(氯磺酰)苯甲酸甲酯?
The CAS number of 2-(氯磺酰)苯甲酸甲酯 is 26638-43-7.
What is the molecular formula of 2-(氯磺酰)苯甲酸甲酯?
The molecular formula of 2-(氯磺酰)苯甲酸甲酯 is C8H7ClO4S.
What is the molecular weight of 2-(氯磺酰)苯甲酸甲酯?
The molecular weight of 2-(氯磺酰)苯甲酸甲酯 is 233.98 g/mol.
Where can I buy 2-(氯磺酰)苯甲酸甲酯?
You can request a quote for 2-(氯磺酰)苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氯磺酰)苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(氯磺酰)苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.