Isosaxalin
TL;DR: Isosaxalin (CAS 55481-86-2) is a chemical compound with molecular formula C16H15ClO5 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
Also Known As: Isosaxalin, SAXAKIN, 9-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one, 8-(3-Chloro-2-hydroxy-3-methylbutoxy)psoralen, 9-(3-chloro-2-hydroxy-3-methyl-butoxy)furo[3,2-g]chromen-7-one
| Molecular Formula | C16H15ClO5 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0608 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 55481-86-2 |
|---|---|
| SMILES | CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)Cl |
| InChIKey | VNNTVHKCIBWHDR-UHFFFAOYSA-N |
Product Overview
Isosaxalin (CAS 55481-86-2), with molecular formula C16H15ClO5 and molecular weight 322.06 g/mol. IUPAC: 9-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one.
Chemical Property Profile of Isosaxalin
Property Insights of Isosaxalin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isosaxalin. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isosaxalin. Following Lipinski's Rule of Five, Isosaxalin 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 Isosaxalin?
The CAS number of Isosaxalin is 55481-86-2.
What is the molecular formula of Isosaxalin?
The molecular formula of Isosaxalin is C16H15ClO5.
What is the molecular weight of Isosaxalin?
The molecular weight of Isosaxalin is 322.06 g/mol.
Where can I buy Isosaxalin?
You can request a quote for Isosaxalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosaxalin?
Yes, KEHONG BIO provides custom synthesis services for Isosaxalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.