3'-O-Methylorobol
TL;DR: 3'-O-Methylorobol (CAS 36190-95-1) 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.
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Also Known As: 3'-O-Methylorobol, 3-Methoxyorobol, Orobol-3'-methyl ether, 3'-O-Methoxyorobol, 3 -Methylorobol
| 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 | 36190-95-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O |
Product Overview
3'-O-Methylorobol (CAS 36190-95-1), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
Chemical Property Profile of 3'-O-Methylorobol
Property Insights of 3'-O-Methylorobol
The XLogP value of 2.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-Methylorobol. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-Methylorobol. Following Lipinski's Rule of Five, 3'-O-Methylorobol 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 3'-O-Methylorobol?
The CAS number of 3'-O-Methylorobol is 36190-95-1.
What is the molecular formula of 3'-O-Methylorobol?
The molecular formula of 3'-O-Methylorobol is C16H12O6.
What is the molecular weight of 3'-O-Methylorobol?
The molecular weight of 3'-O-Methylorobol is 300.06 g/mol.
Where can I buy 3'-O-Methylorobol?
You can request a quote for 3'-O-Methylorobol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Methylorobol?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Methylorobol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.