Irosustat
TL;DR: Irosustat (CAS 288628-05-7) is a chemical compound with molecular formula C14H15NO5S and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamate
Also Known As: Irosustat, STX64, 667-Coumate, 667 coumate, irosustatum
| Molecular Formula | C14H15NO5S |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 1.6442 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0671 |
| Heavy Atoms | 21 |
| Complexity | 853.5288 |
Chemical Identifiers
| CAS Number | 288628-05-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N |
Product Overview
Irosustat (CAS 288628-05-7), with molecular formula C14H15NO5S and molecular weight 309.07 g/mol. IUPAC: (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamate.
Chemical Property Profile of Irosustat
Property Insights of Irosustat
The XLogP value of 1.6442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irosustat. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Irosustat. Following Lipinski's Rule of Five, Irosustat 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 Irosustat?
The CAS number of Irosustat is 288628-05-7.
What is the molecular formula of Irosustat?
The molecular formula of Irosustat is C14H15NO5S.
What is the molecular weight of Irosustat?
The molecular weight of Irosustat is 309.07 g/mol.
Where can I buy Irosustat?
You can request a quote for Irosustat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irosustat?
Yes, KEHONG BIO provides custom synthesis services for Irosustat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.