6-甲基香豆素
TL;DR: 6-甲基香豆素 (CAS 92-48-8) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-甲基香豆素
6-methylchromen-2-one
Also Known As: 6-Methylcoumarin, Toncarine, 6-Methyl coumarin, 6-Methyl-2H-chromen-2-one, 6-Methylbenzopyrone
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
| Melting Point | 167 to 76.1 °C |
| Boiling Point | 302.8 °C at 725 mmHg |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 130.0 °C |
Chemical Identifiers
| CAS Number | 92-48-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2 |
| InChIKey | FXFYOPQLGGEACP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-甲基香豆素 (CAS 92-48-8), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 6-methylchromen-2-one.
Chemical Property Profile of 6-甲基香豆素
Property Insights of 6-甲基香豆素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-甲基香豆素. With a topological polar surface area (TPSA) of 26.3 Ų, 6-甲基香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-甲基香豆素 has 0 hydrogen bond donor(s) and 2 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 6-甲基香豆素?
The CAS number of 6-甲基香豆素 is 92-48-8.
What is the molecular formula of 6-甲基香豆素?
The molecular formula of 6-甲基香豆素 is C10H8O2.
What is the molecular weight of 6-甲基香豆素?
The molecular weight of 6-甲基香豆素 is 160.05 g/mol.
Where can I buy 6-甲基香豆素?
You can request a quote for 6-甲基香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-甲基香豆素?
Yes, KEHONG BIO provides custom synthesis services for 6-甲基香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.