苯氧乙酸2-氯乙酯
TL;DR: 苯氧乙酸2-氯乙酯 (CAS 946-88-3) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氧乙酸2-氯乙酯
2-chloroethyl 2-phenoxyacetate
Also Known As: 2-Chloroethyl phenoxyacetate, 2-chloroethyl 2-phenoxyacetate, ACETIC ACID, PHENOXY-, 2-CHLOROETHYL ESTER, Acetic acid, 2-chloroethyl ester, Phenoxyaceticacid2-chloroethylester
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 946-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OCCCl |
| InChIKey | DOHMOKZZEYNNHH-UHFFFAOYSA-N |
Product Overview
苯氧乙酸2-氯乙酯 (CAS 946-88-3), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: 2-chloroethyl 2-phenoxyacetate.
Chemical Property Profile of 苯氧乙酸2-氯乙酯
Property Insights of 苯氧乙酸2-氯乙酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯氧乙酸2-氯乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 苯氧乙酸2-氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氧乙酸2-氯乙酯 has 0 hydrogen bond donor(s) and 3 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 苯氧乙酸2-氯乙酯?
The CAS number of 苯氧乙酸2-氯乙酯 is 946-88-3.
What is the molecular formula of 苯氧乙酸2-氯乙酯?
The molecular formula of 苯氧乙酸2-氯乙酯 is C10H11ClO3.
What is the molecular weight of 苯氧乙酸2-氯乙酯?
The molecular weight of 苯氧乙酸2-氯乙酯 is 214.04 g/mol.
Where can I buy 苯氧乙酸2-氯乙酯?
You can request a quote for 苯氧乙酸2-氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氧乙酸2-氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯氧乙酸2-氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.