3-(氯磺酰基)苯甲酸甲酯
TL;DR: 3-(氯磺酰基)苯甲酸甲酯 (CAS 63555-50-0) 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.
3-(氯磺酰基)苯甲酸甲酯
methyl 3-chlorosulfonylbenzoate
Also Known As: methyl 3-(chlorosulfonyl)benzoate, methyl 3-chlorosulfonylbenzoate, 3-Chlorosulfonyl-benzoic acid methyl ester, Methyl 3-(chlorosulphonyl)benzoate, Methyl3-(Chlorosulfonyl)benzoate
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 2.2 |
| 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 | 63555-50-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl |
| InChIKey | SQIBNKUEUWGZBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(氯磺酰基)苯甲酸甲酯 (CAS 63555-50-0), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: methyl 3-chlorosulfonylbenzoate.
Chemical Property Profile of 3-(氯磺酰基)苯甲酸甲酯
Property Insights of 3-(氯磺酰基)苯甲酸甲酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(氯磺酰基)苯甲酸甲酯. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(氯磺酰基)苯甲酸甲酯. Following Lipinski's Rule of Five, 3-(氯磺酰基)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 3-(氯磺酰基)苯甲酸甲酯?
The CAS number of 3-(氯磺酰基)苯甲酸甲酯 is 63555-50-0.
What is the molecular formula of 3-(氯磺酰基)苯甲酸甲酯?
The molecular formula of 3-(氯磺酰基)苯甲酸甲酯 is C8H7ClO4S.
What is the molecular weight of 3-(氯磺酰基)苯甲酸甲酯?
The molecular weight of 3-(氯磺酰基)苯甲酸甲酯 is 233.98 g/mol.
Where can I buy 3-(氯磺酰基)苯甲酸甲酯?
You can request a quote for 3-(氯磺酰基)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 3-(氯磺酰基)苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(氯磺酰基)苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.