酞磺胺噻唑
TL;DR: 酞磺胺噻唑 (CAS 85-73-4) is a chemical compound with molecular formula C17H13N3O5S2 and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酞磺胺噻唑
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
Also Known As: phthalylsulfathiazole, Sulfathalidine, Phthalazol, Sulphaphthalyl, Sulfaphthalazole
| Molecular Formula | C17H13N3O5S2 |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.02966 |
| Heavy Atoms | 27 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 85-73-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O |
| InChIKey | PBMSWVPMRUJMPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酞磺胺噻唑 (CAS 85-73-4), with molecular formula C17H13N3O5S2 and molecular weight 403.03 g/mol. IUPAC: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 酞磺胺噻唑
Property Insights of 酞磺胺噻唑
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酞磺胺噻唑. The TPSA of 162.0 Ų indicates high polarity, suggesting 酞磺胺噻唑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phthalylsulfathiazole has 3 hydrogen bond donor(s) and 8 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 Phthalylsulfathiazole?
The CAS number of Phthalylsulfathiazole is 85-73-4.
What is the molecular formula of Phthalylsulfathiazole?
The molecular formula of Phthalylsulfathiazole is C17H13N3O5S2.
What is the molecular weight of Phthalylsulfathiazole?
The molecular weight of Phthalylsulfathiazole is 403.03 g/mol.
Where can I buy Phthalylsulfathiazole?
You can request a quote for Phthalylsulfathiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalylsulfathiazole?
Yes, KEHONG BIO provides custom synthesis services for Phthalylsulfathiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.