Sitaxentan
TL;DR: Sitaxentan (CAS 23898-59-1) is a chemical compound with molecular formula C18H15ClN2O6S2 and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Also Known As: Sitaxsentan, Sitaxentan, Thelin, sitaxentanum, Sitaxentan sodium
| Molecular Formula | C18H15ClN2O6S2 |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.006 |
| Heavy Atoms | 29 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 23898-59-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2 |
| InChIKey | PHWXUGHIIBDVKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sitaxentan (CAS 23898-59-1), with molecular formula C18H15ClN2O6S2 and molecular weight 454.01 g/mol. IUPAC: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide.
Chemical Property Profile of Sitaxentan
Property Insights of Sitaxentan
The XLogP value of 3.7 indicates that Sitaxentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Sitaxentan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sitaxentan has 1 hydrogen bond donor(s) and 9 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 Sitaxentan?
The CAS number of Sitaxentan is 23898-59-1.
What is the molecular formula of Sitaxentan?
The molecular formula of Sitaxentan is C18H15ClN2O6S2.
What is the molecular weight of Sitaxentan?
The molecular weight of Sitaxentan is 454.01 g/mol.
Where can I buy Sitaxentan?
You can request a quote for Sitaxentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitaxentan?
Yes, KEHONG BIO provides custom synthesis services for Sitaxentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.