4,7,8-Trimethylcoumarin
TL;DR: 4,7,8-Trimethylcoumarin (CAS 219722-12-0) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trimethylchromen-2-one
Also Known As: 4,7,8-Trimethylcoumarin, 4,7,8-trimethyl-2H-chromen-2-one, 4,7,8-trimethylchromen-2-one, 4,7,8-trimethyl-2H-2-chromenone, 4,7,8-Trimethyl-2H-1-benzopyran-2-one
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.71826 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 549.98566 |
Chemical Identifiers
| CAS Number | 219722-12-0 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=CC(=O)O2)C)C |
Product Overview
4,7,8-Trimethylcoumarin (CAS 219722-12-0), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 4,7,8-trimethylchromen-2-one.
Chemical Property Profile of 4,7,8-Trimethylcoumarin
Property Insights of 4,7,8-Trimethylcoumarin
The XLogP value of 2.71826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,8-Trimethylcoumarin. With a topological polar surface area (TPSA) of 30.21 Ų, 4,7,8-Trimethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,8-Trimethylcoumarin 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 4,7,8-Trimethylcoumarin?
The CAS number of 4,7,8-Trimethylcoumarin is 219722-12-0.
What is the molecular formula of 4,7,8-Trimethylcoumarin?
The molecular formula of 4,7,8-Trimethylcoumarin is C12H12O2.
What is the molecular weight of 4,7,8-Trimethylcoumarin?
The molecular weight of 4,7,8-Trimethylcoumarin is 188.08 g/mol.
Where can I buy 4,7,8-Trimethylcoumarin?
You can request a quote for 4,7,8-Trimethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,8-Trimethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4,7,8-Trimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.