4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one
TL;DR: 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one (CAS 847377-73-5) is a chemical compound with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-6-propan-2-ylchromen-2-one
Also Known As: 4-(CHLOROMETHYL)-6-ISOPROPYL-2H-CHROMEN-2-ONE, 4-chloromethyl-6-isopropyl-coumarin, 4-(chloromethyl)-6-propan-2-ylchromen-2-one, 4-(chloromethyl)-6-(propan-2-yl)-2H-chromen-2-one, 4-(chloromethyl)-6-isopropylchromen-2-one
| Molecular Formula | C13H13ClO2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.6552 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06041 |
| Heavy Atoms | 16 |
| Complexity | 569.6446 |
Chemical Identifiers
| CAS Number | 847377-73-5 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CCl |
Product Overview
4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one (CAS 847377-73-5), with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol. IUPAC: 4-(chloromethyl)-6-propan-2-ylchromen-2-one.
Chemical Property Profile of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one
Property Insights of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one
The XLogP value of 3.6552 indicates that 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one 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-(Chloromethyl)-6-isopropyl-2H-chromen-2-one?
The CAS number of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one is 847377-73-5.
What is the molecular formula of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one?
The molecular formula of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one is C13H13ClO2.
What is the molecular weight of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one?
The molecular weight of 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one is 236.06 g/mol.
Where can I buy 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one?
You can request a quote for 4-(Chloromethyl)-6-isopropyl-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-(Chloromethyl)-6-isopropyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-6-isopropyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.