5-氯-2-甲酰基苯磺酸
TL;DR: 5-氯-2-甲酰基苯磺酸 (CAS 88-33-5) 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.
5-氯-2-甲酰基苯磺酸
5-chloro-2-formylbenzenesulfonic acid
Also Known As: 5-chloro-2-formylbenzenesulfonic acid, 5-Chloro-2-formylbenzenesulphonic acid, 5-chlor-2-formylbenzensulfonsyre, Benzenesulfonic acid,5-chloro-2-formyl-, 5-chloro-2-formylbenzenesulphonicacid
| Molecular Formula | C7H5ClO4S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 0.8 |
| 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 | 281.0 |
Chemical Identifiers
| CAS Number | 88-33-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)S(=O)(=O)O)C=O |
| InChIKey | GXRQQNQCMLEUAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-甲酰基苯磺酸 (CAS 88-33-5), with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol. IUPAC: 5-chloro-2-formylbenzenesulfonic acid.
Chemical Property Profile of 5-氯-2-甲酰基苯磺酸
Property Insights of 5-氯-2-甲酰基苯磺酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-2-甲酰基苯磺酸. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氯-2-甲酰基苯磺酸. Following Lipinski's Rule of Five, 5-氯-2-甲酰基苯磺酸 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 5-氯-2-甲酰基苯磺酸?
The CAS number of 5-氯-2-甲酰基苯磺酸 is 88-33-5.
What is the molecular formula of 5-氯-2-甲酰基苯磺酸?
The molecular formula of 5-氯-2-甲酰基苯磺酸 is C7H5ClO4S.
What is the molecular weight of 5-氯-2-甲酰基苯磺酸?
The molecular weight of 5-氯-2-甲酰基苯磺酸 is 219.96 g/mol.
Where can I buy 5-氯-2-甲酰基苯磺酸?
You can request a quote for 5-氯-2-甲酰基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-甲酰基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-甲酰基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.