4-Phenoxybutyryl chloride
TL;DR: 4-Phenoxybutyryl chloride (CAS 5139-89-9) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenoxybutanoyl chloride
Also Known As: 4-Phenoxybutyryl chloride, 4-phenoxybutanoyl chloride, 4-Phenoxybutyrylchloride, 2-Phenoxybutyryl chloride, Butanoyl chloride, 4-phenoxy-
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5139-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCC(=O)Cl |
| InChIKey | SYLRFDTUTMLVNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenoxybutyryl chloride (CAS 5139-89-9), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 4-phenoxybutanoyl chloride.
Chemical Property Profile of 4-Phenoxybutyryl chloride
Property Insights of 4-Phenoxybutyryl chloride
The XLogP value of 3.1 indicates that 4-Phenoxybutyryl 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-Phenoxybutyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenoxybutyryl 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-Phenoxybutyryl chloride?
The CAS number of 4-Phenoxybutyryl chloride is 5139-89-9.
What is the molecular formula of 4-Phenoxybutyryl chloride?
The molecular formula of 4-Phenoxybutyryl chloride is C10H11ClO2.
What is the molecular weight of 4-Phenoxybutyryl chloride?
The molecular weight of 4-Phenoxybutyryl chloride is 198.04 g/mol.
Where can I buy 4-Phenoxybutyryl chloride?
You can request a quote for 4-Phenoxybutyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenoxybutyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxybutyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.