4-(4-Chloro-2-methylphenoxy)butyryl chloride
TL;DR: 4-(4-Chloro-2-methylphenoxy)butyryl chloride (CAS 99860-69-2) is a chemical compound with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-methylphenoxy)butanoyl chloride
Also Known As: 4-(4-Chloro-2-methylphenoxy)butyryl chloride, 4-(4-chloro-2-methylphenoxy)butanoyl chloride, 4-(4-Chloro-2-methylphenoxy)butyrylchloride, 4-(4-chloro-2-methyl-phenoxy)-butyryl chloride, 4-(4-chloro-2-methyl-phenoxy)butanoyl chloride
| Molecular Formula | C11H12Cl2O2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 3.57282 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.02144 |
| Heavy Atoms | 15 |
| Complexity | 350.4412 |
Chemical Identifiers
| CAS Number | 99860-69-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)Cl |
Product Overview
4-(4-Chloro-2-methylphenoxy)butyryl chloride (CAS 99860-69-2), with molecular formula C11H12Cl2O2 and molecular weight 246.02 g/mol. IUPAC: 4-(4-chloro-2-methylphenoxy)butanoyl chloride.
Chemical Property Profile of 4-(4-Chloro-2-methylphenoxy)butyryl chloride
Property Insights of 4-(4-Chloro-2-methylphenoxy)butyryl chloride
The XLogP value of 3.57282 indicates that 4-(4-Chloro-2-methylphenoxy)butyryl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(4-Chloro-2-methylphenoxy)butyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-2-methylphenoxy)butyryl chloride 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-(4-Chloro-2-methylphenoxy)butyryl chloride?
The CAS number of 4-(4-Chloro-2-methylphenoxy)butyryl chloride is 99860-69-2.
What is the molecular formula of 4-(4-Chloro-2-methylphenoxy)butyryl chloride?
The molecular formula of 4-(4-Chloro-2-methylphenoxy)butyryl chloride is C11H12Cl2O2.
What is the molecular weight of 4-(4-Chloro-2-methylphenoxy)butyryl chloride?
The molecular weight of 4-(4-Chloro-2-methylphenoxy)butyryl chloride is 246.02 g/mol.
Where can I buy 4-(4-Chloro-2-methylphenoxy)butyryl chloride?
You can request a quote for 4-(4-Chloro-2-methylphenoxy)butyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-2-methylphenoxy)butyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-2-methylphenoxy)butyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.