5-Methylumbelliferone
TL;DR: 5-Methylumbelliferone (CAS 7249-26-5) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-5-methylchromen-2-one
Also Known As: 5-methylumbelliferone, 7-hydroxy-5-methylcoumarin, 7-hydroxy-5-methyl-2H-chromen-2-one, 7-hydroxy-5-methylchromen-2-one, 5-methyl-7-hydroxycoumarin
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.80702 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 511.04904 |
Chemical Identifiers
| CAS Number | 7249-26-5 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C=CC(=O)O2)O |
Product Overview
5-Methylumbelliferone (CAS 7249-26-5), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 7-hydroxy-5-methylchromen-2-one.
Chemical Property Profile of 5-Methylumbelliferone
Property Insights of 5-Methylumbelliferone
The XLogP value of 1.80702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylumbelliferone. With a topological polar surface area (TPSA) of 50.44 Ų, 5-Methylumbelliferone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylumbelliferone has 1 hydrogen bond donor(s) and 3 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 5-Methylumbelliferone?
The CAS number of 5-Methylumbelliferone is 7249-26-5.
What is the molecular formula of 5-Methylumbelliferone?
The molecular formula of 5-Methylumbelliferone is C10H8O3.
What is the molecular weight of 5-Methylumbelliferone?
The molecular weight of 5-Methylumbelliferone is 176.05 g/mol.
Where can I buy 5-Methylumbelliferone?
You can request a quote for 5-Methylumbelliferone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylumbelliferone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylumbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.