2-Chloropropyl benzoate
TL;DR: 2-Chloropropyl benzoate (CAS 7022-98-2) 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.
2-chloropropyl benzoate
Also Known As: 2-chloropropyl benzoate, 2-Chlor-1-benzoyloxy-propan, Benzenecarboxylic acid 2-chloropropyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.4707 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 269.51306 |
Chemical Identifiers
| CAS Number | 7022-98-2 |
|---|---|
| SMILES | CC(COC(=O)C1=CC=CC=C1)Cl |
Product Overview
2-Chloropropyl benzoate (CAS 7022-98-2), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-chloropropyl benzoate.
Chemical Property Profile of 2-Chloropropyl benzoate
Property Insights of 2-Chloropropyl benzoate
The XLogP value of 2.4707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloropropyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloropropyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloropropyl benzoate 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 2-Chloropropyl benzoate?
The CAS number of 2-Chloropropyl benzoate is 7022-98-2.
What is the molecular formula of 2-Chloropropyl benzoate?
The molecular formula of 2-Chloropropyl benzoate is C10H11ClO2.
What is the molecular weight of 2-Chloropropyl benzoate?
The molecular weight of 2-Chloropropyl benzoate is 198.04 g/mol.
Where can I buy 2-Chloropropyl benzoate?
You can request a quote for 2-Chloropropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloropropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloropropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.