4-methyl-7-propoxy-2H-chromen-2-one
TL;DR: 4-methyl-7-propoxy-2H-chromen-2-one (CAS 100797-68-0) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-7-propoxychromen-2-one
Also Known As: 4-Methyl-7-propoxy-cumarin, 4-methyl-7-propoxy-2H-chromen-2-one, 4-methyl-7-propoxychromen-2-one, BIM-0031369.P001
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.89022 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 554.59656 |
Chemical Identifiers
| CAS Number | 100797-68-0 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)C(=CC(=O)O2)C |
Product Overview
4-methyl-7-propoxy-2H-chromen-2-one (CAS 100797-68-0), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-methyl-7-propoxychromen-2-one.
Chemical Property Profile of 4-methyl-7-propoxy-2H-chromen-2-one
Property Insights of 4-methyl-7-propoxy-2H-chromen-2-one
The XLogP value of 2.89022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-7-propoxy-2H-chromen-2-one. With a topological polar surface area (TPSA) of 39.44 Ų, 4-methyl-7-propoxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-7-propoxy-2H-chromen-2-one has 0 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 4-methyl-7-propoxy-2H-chromen-2-one?
The CAS number of 4-methyl-7-propoxy-2H-chromen-2-one is 100797-68-0.
What is the molecular formula of 4-methyl-7-propoxy-2H-chromen-2-one?
The molecular formula of 4-methyl-7-propoxy-2H-chromen-2-one is C13H14O3.
What is the molecular weight of 4-methyl-7-propoxy-2H-chromen-2-one?
The molecular weight of 4-methyl-7-propoxy-2H-chromen-2-one is 218.09 g/mol.
Where can I buy 4-methyl-7-propoxy-2H-chromen-2-one?
You can request a quote for 4-methyl-7-propoxy-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-7-propoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-7-propoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.