3-Phenylpropyl 3-chloropropanoate
TL;DR: 3-Phenylpropyl 3-chloropropanoate (CAS 78987-69-6) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 3-chloropropanoate
Also Known As: 3-Phenylpropyl 3-chloropropanoate, 3-Phenylpropyl 3-chloropropanoate #, 3-Chloropropionic acid 3-phenylpropyl ester, 3-Chloropropionic acid, 3-phenylpropyl ester, J1.859.961I
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.07605 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 78987-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCCl |
| InChIKey | MBYPPIGLUULZRM-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl 3-chloropropanoate (CAS 78987-69-6), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: 3-phenylpropyl 3-chloropropanoate.
Chemical Property Profile of 3-Phenylpropyl 3-chloropropanoate
Property Insights of 3-Phenylpropyl 3-chloropropanoate
The XLogP value of 3.1 indicates that 3-Phenylpropyl 3-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 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
Frequently Asked Questions
What is the CAS number of 3-Phenylpropyl 3-chloropropanoate?
The CAS number of 3-Phenylpropyl 3-chloropropanoate is 78987-69-6.
What is the molecular formula of 3-Phenylpropyl 3-chloropropanoate?
The molecular formula of 3-Phenylpropyl 3-chloropropanoate is C12H15ClO2.
What is the molecular weight of 3-Phenylpropyl 3-chloropropanoate?
The molecular weight of 3-Phenylpropyl 3-chloropropanoate is 226.08 g/mol.
Where can I buy 3-Phenylpropyl 3-chloropropanoate?
You can request a quote for 3-Phenylpropyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.