羟甲香豆素
TL;DR: 羟甲香豆素 (CAS 438187-75-8) 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.
羟甲香豆素
7-hydroxy-4-methylchromen-2-one
Also Known As: 4-methylumbelliferone, Hymecromone, Imecromone, 7-HYDROXY-4-METHYLCOUMARIN, Cantabiline
| 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 | 438187-75-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)O |
Product Overview
羟甲香豆素 (CAS 438187-75-8), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 羟甲香豆素
Property Insights of 羟甲香豆素
The XLogP value of 1.80702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟甲香豆素. With a topological polar surface area (TPSA) of 50.44 Ų, 羟甲香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟甲香豆素 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 羟甲香豆素?
The CAS number of 羟甲香豆素 is 438187-75-8.
What is the molecular formula of 羟甲香豆素?
The molecular formula of 羟甲香豆素 is C10H8O3.
What is the molecular weight of 羟甲香豆素?
The molecular weight of 羟甲香豆素 is 176.05 g/mol.
Where can I buy 羟甲香豆素?
You can request a quote for 羟甲香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟甲香豆素?
Yes, KEHONG BIO provides custom synthesis services for 羟甲香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.