![3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate structure](/static/products/459/459153-07-2.png)
3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate
TL;DR: 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 459153-07-2) is a chemical compound with molecular formula C23H23ClO5 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-[3-(2-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate
Also Known As: AB01330793-02, 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate, 3-methylbutyl 2-[3-(2-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate, 3-methylbutyl 2-[3-(2-chlorophenyl)-4-oxochromen-7-yloxy]propanoate, isopentyl 2-((3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)propanoate
| Molecular Formula | C23H23ClO5 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 5.47 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1234 |
| Heavy Atoms | 29 |
| Complexity | 1070.2964 |
Chemical Identifiers
| CAS Number | 459153-07-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3Cl |
Product Overview
3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate (CAS 459153-07-2), with molecular formula C23H23ClO5 and molecular weight 414.12 g/mol. IUPAC: 3-methylbutyl 2-[3-(2-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate.
Chemical Property Profile of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate
Property Insights of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate
The XLogP value of 5.47 indicates that 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate. Following Lipinski's Rule of Five, 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The CAS number of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate is 459153-07-2.
What is the molecular formula of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular formula of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate is C23H23ClO5.
What is the molecular weight of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
The molecular weight of 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate is 414.12 g/mol.
Where can I buy 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
You can request a quote for 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 2-{[3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.