氯乙酸3-苯丙酯
TL;DR: 氯乙酸3-苯丙酯 (CAS 64046-48-6) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸3-苯丙酯
3-phenylpropyl 2-chloroacetate
Also Known As: 3-Phenylpropyl chloroacetate, 3-phenylpropyl 2-chloroacetate, 3-Phenylpropyl chloroacetate #, ghl.PD_Mitscher_leg0.1072, ACETIC ACID, CHLORO-, 3-PHENYLPROPYL ESTER
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 64046-48-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCl |
| InChIKey | HTTWQUXWZPNKIN-UHFFFAOYSA-N |
Product Overview
氯乙酸3-苯丙酯 (CAS 64046-48-6), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: 3-phenylpropyl 2-chloroacetate.
Chemical Property Profile of 氯乙酸3-苯丙酯
Property Insights of 氯乙酸3-苯丙酯
The XLogP value of 3.2 indicates that 氯乙酸3-苯丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯乙酸3-苯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙酸3-苯丙酯 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 氯乙酸3-苯丙酯?
The CAS number of 氯乙酸3-苯丙酯 is 64046-48-6.
What is the molecular formula of 氯乙酸3-苯丙酯?
The molecular formula of 氯乙酸3-苯丙酯 is C11H13ClO2.
What is the molecular weight of 氯乙酸3-苯丙酯?
The molecular weight of 氯乙酸3-苯丙酯 is 212.06 g/mol.
Where can I buy 氯乙酸3-苯丙酯?
You can request a quote for 氯乙酸3-苯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸3-苯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸3-苯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.