Benzyl 3-chloropropanoate
TL;DR: Benzyl 3-chloropropanoate (CAS 103970-75-8) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-chloropropanoate
Also Known As: Benzyl 3-chloropropanoate, Benzyl3-chloropropanoate, Benzyl 3-chloropropanoate #, 3-Chloropropionic acid, benzyl ester, Propanoic acid, 3-chloro-, phenylmethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.04475 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04475 Da |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CCCl |
| InChIKey | OOQHRQQUQCZZHF-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-chloropropanoate
Property Insights of Benzyl 3-chloropropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-chloropropanoate 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
What is the CAS number of Benzyl 3-chloropropanoate?
The CAS number of Benzyl 3-chloropropanoate is 103970-75-8.
What is the molecular formula of Benzyl 3-chloropropanoate?
The molecular formula of Benzyl 3-chloropropanoate is C10H11ClO2.
What is the molecular weight of Benzyl 3-chloropropanoate?
The molecular weight of Benzyl 3-chloropropanoate is 198.04475 g/mol.
Where can I buy Benzyl 3-chloropropanoate?
You can request a quote for Benzyl 3-chloropropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-chloropropanoate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.