Crotalarin
TL;DR: Crotalarin (CAS 109517-68-2) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
Also Known As: Crotalarin, 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano(2,3-h)chromen-4-one, 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 9,10-dihydro-5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-, 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one,9,10-dihydro-5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.9748 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 1028.6212 |
Chemical Identifiers
| CAS Number | 109517-68-2 |
|---|---|
| SMILES | CC1(CCC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)C |
Product Overview
Crotalarin (CAS 109517-68-2), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one.
Chemical Property Profile of Crotalarin
Property Insights of Crotalarin
The XLogP value of 3.9748 indicates that Crotalarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotalarin. Following Lipinski's Rule of Five, Crotalarin has 2 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 Crotalarin?
The CAS number of Crotalarin is 109517-68-2.
What is the molecular formula of Crotalarin?
The molecular formula of Crotalarin is C20H18O5.
What is the molecular weight of Crotalarin?
The molecular weight of Crotalarin is 338.12 g/mol.
Where can I buy Crotalarin?
You can request a quote for Crotalarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotalarin?
Yes, KEHONG BIO provides custom synthesis services for Crotalarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.