Santal
TL;DR: Santal (CAS 529-60-2) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
Also Known As: Santal, Orobol-7-methyl ether, 5,3',4'-Trihydroxy-7-methoxyisoflavone, 3',4',5-trihydroxy-7-methoxyisoflavone, 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.5854 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 925.80273 |
Chemical Identifiers
| CAS Number | 529-60-2 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)O)O |
Product Overview
Santal (CAS 529-60-2), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one.
Chemical Property Profile of Santal
Property Insights of Santal
The XLogP value of 2.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Santal. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Santal. Following Lipinski's Rule of Five, Santal has 3 hydrogen bond donor(s) and 6 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 Santal?
The CAS number of Santal is 529-60-2.
What is the molecular formula of Santal?
The molecular formula of Santal is C16H12O6.
What is the molecular weight of Santal?
The molecular weight of Santal is 300.06 g/mol.
Where can I buy Santal?
You can request a quote for Santal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Santal?
Yes, KEHONG BIO provides custom synthesis services for Santal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.