8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
TL;DR: 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one (CAS 74474-76-3) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
Also Known As: Casegravol, 8-[(1E)-3,4-DIHYDROXY-3-METHYLBUT-1-EN-1-YL]-7-METHOXYCHROMEN-2-ONE
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 74474-76-3 |
|---|---|
| SMILES | CC(CO)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O |
| InChIKey | XVVRFNCLKCYMPH-UHFFFAOYSA-N |
Product Overview
8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one (CAS 74474-76-3), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: 8-(3,4-dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one.
Chemical Property Profile of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
Property Insights of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one. Following Lipinski's Rule of Five, 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one 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 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one?
The CAS number of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one is 74474-76-3.
What is the molecular formula of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one?
The molecular formula of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one is C15H16O5.
What is the molecular weight of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one?
The molecular weight of 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one is 276.10 g/mol.
Where can I buy 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one?
You can request a quote for 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-Dihydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.