5-氯磺酰-2-茴香酸
TL;DR: 5-氯磺酰-2-茴香酸 (CAS 51904-91-7) is a chemical compound with molecular formula C8H7ClO5S and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯磺酰-2-茴香酸
5-chlorosulfonyl-2-methoxybenzoic acid
Also Known As: 5-chlorosulfonyl-2-methoxybenzoic acid, 5-(Chlorosulfonyl)-2-methoxybenzoic acid, 5-Chlorosulphonyl-2-anisic acid, Amisulpride Impurity 60, Salicylic Acid Impurity 27
| Molecular Formula | C8H7ClO5S |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.97028 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 51904-91-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O |
| InChIKey | OUBZCDOQEMLMAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯磺酰-2-茴香酸 (CAS 51904-91-7), with molecular formula C8H7ClO5S and molecular weight 249.97 g/mol. IUPAC: 5-chlorosulfonyl-2-methoxybenzoic acid.
Chemical Property Profile of 5-氯磺酰-2-茴香酸
Property Insights of 5-氯磺酰-2-茴香酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯磺酰-2-茴香酸. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氯磺酰-2-茴香酸. Following Lipinski's Rule of Five, 5-氯磺酰-2-茴香酸 has 1 hydrogen bond donor(s) and 5 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-2-茴香酸?
The CAS number of 5-氯磺酰-2-茴香酸 is 51904-91-7.
What is the molecular formula of 5-氯磺酰-2-茴香酸?
The molecular formula of 5-氯磺酰-2-茴香酸 is C8H7ClO5S.
What is the molecular weight of 5-氯磺酰-2-茴香酸?
The molecular weight of 5-氯磺酰-2-茴香酸 is 249.97 g/mol.
Where can I buy 5-氯磺酰-2-茴香酸?
You can request a quote for 5-氯磺酰-2-茴香酸 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-2-茴香酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯磺酰-2-茴香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.