3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one
TL;DR: 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one (CAS 425683-27-8) is a chemical compound with molecular formula C16H19ClO3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,8-dimethyl-7-(3-methylbutoxy)chromen-2-one
Also Known As: 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one, 3-chloro-4,8-dimethyl-7-(3-methylbutoxy)chromen-2-one, AO-375/15015069
| Molecular Formula | C16H19ClO3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 4.48814 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10226 |
| Heavy Atoms | 20 |
| Complexity | 686.1619 |
Chemical Identifiers
| CAS Number | 425683-27-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCCC(C)C)Cl |
Product Overview
3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one (CAS 425683-27-8), with molecular formula C16H19ClO3 and molecular weight 294.10 g/mol. IUPAC: 3-chloro-4,8-dimethyl-7-(3-methylbutoxy)chromen-2-one.
Chemical Property Profile of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one
Property Insights of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one
The XLogP value of 4.48814 indicates that 3-chloro-7-(isopentyloxy)-4,8-dimethyl-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 39.44 Ų, 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-7-(isopentyloxy)-4,8-dimethyl-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 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one?
The CAS number of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one is 425683-27-8.
What is the molecular formula of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one?
The molecular formula of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one is C16H19ClO3.
What is the molecular weight of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one?
The molecular weight of 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one is 294.10 g/mol.
Where can I buy 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one?
You can request a quote for 3-chloro-7-(isopentyloxy)-4,8-dimethyl-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-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-7-(isopentyloxy)-4,8-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.