3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 26481-20-9) is a chemical compound with molecular formula C13H13ClO3 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloropropyl)-7-hydroxy-4-methylchromen-2-one
Also Known As: 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one, 3-(2-chloropropyl)-7-hydroxy-4-methylchromen-2-one
| Molecular Formula | C13H13ClO3 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.97682 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05533 |
| Heavy Atoms | 17 |
| Complexity | 613.82605 |
Chemical Identifiers
| CAS Number | 26481-20-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(C)Cl |
Product Overview
3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 26481-20-9), with molecular formula C13H13ClO3 and molecular weight 252.06 g/mol. IUPAC: 3-(2-chloropropyl)-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 2.97682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one 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 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 26481-20-9.
What is the molecular formula of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one is C13H13ClO3.
What is the molecular weight of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one is 252.06 g/mol.
Where can I buy 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3-(2-chloropropyl)-7-hydroxy-4-methyl-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 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloropropyl)-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.