4-Hydroxymellein
TL;DR: 4-Hydroxymellein (CAS 38507-90-3) 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.
4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Also Known As: 4-hydroxymellein, 4-Hydroxychracin, trans-4-Hydroxymellein, 3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin, 4,8-dihydroxy-3-methyl-isochroman-1-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 |
| Melting Point | 131 - 132 °C |
Chemical Identifiers
| CAS Number | 38507-90-3 |
|---|---|
| SMILES | CC1C(C2=C(C(=CC=C2)O)C(=O)O1)O |
| InChIKey | STSOHAOGZMLWFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxymellein (CAS 38507-90-3), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one.
Chemical Property Profile of 4-Hydroxymellein
Property Insights of 4-Hydroxymellein
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymellein. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxymellein. Following Lipinski's Rule of Five, 4-Hydroxymellein 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-Hydroxymellein?
The CAS number of 4-Hydroxymellein is 38507-90-3.
What is the molecular formula of 4-Hydroxymellein?
The molecular formula of 4-Hydroxymellein is C10H10O4.
What is the molecular weight of 4-Hydroxymellein?
The molecular weight of 4-Hydroxymellein is 194.06 g/mol.
Where can I buy 4-Hydroxymellein?
You can request a quote for 4-Hydroxymellein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymellein?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymellein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.