4-Methyl-3,4-dihydro-esculetin
TL;DR: 4-Methyl-3,4-dihydro-esculetin (CAS 529-84-0) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-4-methyl-3,4-dihydrochromen-2-one
Also Known As: 4-Methylesculetin, 4-methyl-3,4-dihydro-esculetin, 6,7-dihydroxy-4-methyl-3,4-dihydrochromen-2-one, 6,7-dihydroxy-4-methyl-3,4-dihydro-2H-chromen-2-one
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 529-84-0 |
|---|---|
| SMILES | CC1CC(=O)OC2=CC(=C(C=C12)O)O |
| InChIKey | BGDCPBIFJNQUHN-UHFFFAOYSA-N |
Product Overview
4-Methyl-3,4-dihydro-esculetin (CAS 529-84-0), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 6,7-dihydroxy-4-methyl-3,4-dihydrochromen-2-one.
Chemical Property Profile of 4-Methyl-3,4-dihydro-esculetin
Property Insights of 4-Methyl-3,4-dihydro-esculetin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3,4-dihydro-esculetin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,4-dihydro-esculetin. Following Lipinski's Rule of Five, 4-Methyl-3,4-dihydro-esculetin has 2 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 4-Methyl-3,4-dihydro-esculetin?
The CAS number of 4-Methyl-3,4-dihydro-esculetin is 529-84-0.
What is the molecular formula of 4-Methyl-3,4-dihydro-esculetin?
The molecular formula of 4-Methyl-3,4-dihydro-esculetin is C10H10O4.
What is the molecular weight of 4-Methyl-3,4-dihydro-esculetin?
The molecular weight of 4-Methyl-3,4-dihydro-esculetin is 194.06 g/mol.
Where can I buy 4-Methyl-3,4-dihydro-esculetin?
You can request a quote for 4-Methyl-3,4-dihydro-esculetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3,4-dihydro-esculetin?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3,4-dihydro-esculetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.