Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-
TL;DR: Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- (CAS 16850-96-7) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
Also Known As: Tetrahydrodehydrogeijerin, Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-, 6-(1-hydroxy-3-methylbutyl)-7-methoxychromen-2-one, 6-(1-Hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one, 6-(1-Hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one #
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 16850-96-7 |
|---|---|
| SMILES | CC(C)CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O |
| InChIKey | ZRXJDVGAMZQYJX-UHFFFAOYSA-N |
Product Overview
Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- (CAS 16850-96-7), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 6-(1-hydroxy-3-methylbutyl)-7-methoxychromen-2-one.
Chemical Property Profile of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-
Property Insights of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-. With a topological polar surface area (TPSA) of 55.8 Ų, Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- has 1 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 Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-?
The CAS number of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- is 16850-96-7.
What is the molecular formula of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-?
The molecular formula of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- is C15H18O4.
What is the molecular weight of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-?
The molecular weight of Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- is 262.12 g/mol.
Where can I buy Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-?
You can request a quote for Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 6-(2-hydroxy-3-methylbutyl)-7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.