Inflacoumarin A
TL;DR: Inflacoumarin A (CAS 158446-33-4) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Inflacoumarin A, Warfarin Sodium Impurity 45, J2.087.336A, 4-(4'-hydroxy-phenyl)-6-prenyl-7-hydroxy-coumarin, 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.3799 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 974.93176 |
Chemical Identifiers
| CAS Number | 158446-33-4 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=C(C=C3)O)C |
Product Overview
Inflacoumarin A (CAS 158446-33-4), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: 7-hydroxy-4-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Inflacoumarin A
Property Insights of Inflacoumarin A
The XLogP value of 4.3799 indicates that Inflacoumarin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Inflacoumarin A. Following Lipinski's Rule of Five, Inflacoumarin A has 2 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 Inflacoumarin A?
The CAS number of Inflacoumarin A is 158446-33-4.
What is the molecular formula of Inflacoumarin A?
The molecular formula of Inflacoumarin A is C20H18O4.
What is the molecular weight of Inflacoumarin A?
The molecular weight of Inflacoumarin A is 322.12 g/mol.
Where can I buy Inflacoumarin A?
You can request a quote for Inflacoumarin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inflacoumarin A?
Yes, KEHONG BIO provides custom synthesis services for Inflacoumarin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.