5-(氯磺酰基)-2-甲基苯甲酸
TL;DR: 5-(氯磺酰基)-2-甲基苯甲酸 (CAS 89001-57-0) 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.
5-(氯磺酰基)-2-甲基苯甲酸
5-chlorosulfonyl-2-methylbenzoic acid
Also Known As: 5-(Chlorosulfonyl)-2-methylbenzoic acid, 5-chlorosulfonyl-2-methylbenzoic acid, 5-Chlorosulfonyl-2-methyl-benzoic acid, 5-(Chlorosulfonyl)-2-methylbenzenecarboxylic acid, Benzoic acid, 5-(chlorosulfonyl)-2-methyl- (9CI)
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 89001-57-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O |
| InChIKey | FMWIOAWRARBKDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(氯磺酰基)-2-甲基苯甲酸 (CAS 89001-57-0), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: 5-chlorosulfonyl-2-methylbenzoic acid.
Chemical Property Profile of 5-(氯磺酰基)-2-甲基苯甲酸
Property Insights of 5-(氯磺酰基)-2-甲基苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(氯磺酰基)-2-甲基苯甲酸. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(氯磺酰基)-2-甲基苯甲酸. Following Lipinski's Rule of Five, 5-(氯磺酰基)-2-甲基苯甲酸 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 5-(氯磺酰基)-2-甲基苯甲酸?
The CAS number of 5-(氯磺酰基)-2-甲基苯甲酸 is 89001-57-0.
What is the molecular formula of 5-(氯磺酰基)-2-甲基苯甲酸?
The molecular formula of 5-(氯磺酰基)-2-甲基苯甲酸 is C8H7ClO4S.
What is the molecular weight of 5-(氯磺酰基)-2-甲基苯甲酸?
The molecular weight of 5-(氯磺酰基)-2-甲基苯甲酸 is 233.98 g/mol.
Where can I buy 5-(氯磺酰基)-2-甲基苯甲酸?
You can request a quote for 5-(氯磺酰基)-2-甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(氯磺酰基)-2-甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(氯磺酰基)-2-甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.