Phenoxyacetyl chloride
TL;DR: Phenoxyacetyl chloride (CAS 701-99-5) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyacetyl chloride
Also Known As: Phenoxyacetyl chloride, 2-phenoxyacetyl chloride, Acetyl chloride, phenoxy-, Phenyloxyacetyl chloride, Phenoxyacetylchloride
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 701-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)Cl |
| InChIKey | PKUPAJQAJXVUEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenoxyacetyl chloride (CAS 701-99-5), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 2-phenoxyacetyl chloride.
Chemical Property Profile of Phenoxyacetyl chloride
Property Insights of Phenoxyacetyl chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenoxyacetyl chloride. With a topological polar surface area (TPSA) of 26.3 Ų, Phenoxyacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxyacetyl 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 Phenoxyacetyl chloride?
The CAS number of Phenoxyacetyl chloride is 701-99-5.
What is the molecular formula of Phenoxyacetyl chloride?
The molecular formula of Phenoxyacetyl chloride is C8H7ClO2.
What is the molecular weight of Phenoxyacetyl chloride?
The molecular weight of Phenoxyacetyl chloride is 170.01 g/mol.
Where can I buy Phenoxyacetyl chloride?
You can request a quote for Phenoxyacetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenoxyacetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Phenoxyacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.