6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin
TL;DR: 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin (CAS 36149-96-9) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
Also Known As: Ulopterol, Peucedanol, Peucedanol methyl ether, 2',3'-Dihydroxydihydrosuberosin, MEGxp0_001496
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 36149-96-9 |
|---|---|
| SMILES | CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O |
| InChIKey | BNLKKFPQJANWMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin (CAS 36149-96-9), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 6-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one.
Chemical Property Profile of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin
Property Insights of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin. Following Lipinski's Rule of Five, 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin 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 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin?
The CAS number of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin is 36149-96-9.
What is the molecular formula of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin?
The molecular formula of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin is C15H18O5.
What is the molecular weight of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin?
The molecular weight of 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin is 278.12 g/mol.
Where can I buy 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin?
You can request a quote for 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.