![Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate structure](/static/products/6307/6307-97-7.webp)
Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate
TL;DR: Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate (CAS 6307-97-7) is a chemical compound with molecular formula C16H21ClO5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxypropanoate
Also Known As: butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate, butyl 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxypropanoate, Propanoic acid,2-[[2-(4-chloro-2-methylphenoxy)acetyl]oxy]-, butyl ester, N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
| Molecular Formula | C16H21ClO5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.10776 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6307-97-7 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | OIBWESSVNJFLTQ-UHFFFAOYSA-N |
Product Overview
Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate (CAS 6307-97-7), with molecular formula C16H21ClO5 and molecular weight 328.11 g/mol. IUPAC: butyl 2-[2-(4-chloro-2-methylphenoxy)acetyl]oxypropanoate.
Chemical Property Profile of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate
Property Insights of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate
The XLogP value of 4.4 indicates that Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate. Following Lipinski's Rule of Five, Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate has 0 hydrogen bond donor(s) and 5 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 Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate?
The CAS number of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate is 6307-97-7.
What is the molecular formula of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate?
The molecular formula of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate is C16H21ClO5.
What is the molecular weight of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate?
The molecular weight of Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate is 328.11 g/mol.
Where can I buy Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate?
You can request a quote for Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-{[(4-chloro-2-methylphenoxy)acetyl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.