3-Chloropropane-1,2-diyl dibenzoate
TL;DR: 3-Chloropropane-1,2-diyl dibenzoate (CAS 32604-68-5) is a chemical compound with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxy-3-chloropropyl) benzoate
Also Known As: 3-chloropropane-1,2-diyl dibenzoate, (2-benzoyloxy-3-chloropropyl) benzoate, BAS 01077080, 2-chloro-1-(phenylcarbonyloxymethyl)ethyl benzoate
| Molecular Formula | C17H15ClO4 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.3078 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0659 |
| Heavy Atoms | 22 |
| Complexity | 613.07074 |
Chemical Identifiers
| CAS Number | 32604-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(CCl)OC(=O)C2=CC=CC=C2 |
Product Overview
3-Chloropropane-1,2-diyl dibenzoate (CAS 32604-68-5), with molecular formula C17H15ClO4 and molecular weight 318.07 g/mol. IUPAC: (2-benzoyloxy-3-chloropropyl) benzoate.
Chemical Property Profile of 3-Chloropropane-1,2-diyl dibenzoate
Property Insights of 3-Chloropropane-1,2-diyl dibenzoate
The XLogP value of 3.3078 indicates that 3-Chloropropane-1,2-diyl dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Chloropropane-1,2-diyl dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropane-1,2-diyl dibenzoate has 0 hydrogen bond donor(s) and 4 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-Chloropropane-1,2-diyl dibenzoate?
The CAS number of 3-Chloropropane-1,2-diyl dibenzoate is 32604-68-5.
What is the molecular formula of 3-Chloropropane-1,2-diyl dibenzoate?
The molecular formula of 3-Chloropropane-1,2-diyl dibenzoate is C17H15ClO4.
What is the molecular weight of 3-Chloropropane-1,2-diyl dibenzoate?
The molecular weight of 3-Chloropropane-1,2-diyl dibenzoate is 318.07 g/mol.
Where can I buy 3-Chloropropane-1,2-diyl dibenzoate?
You can request a quote for 3-Chloropropane-1,2-diyl dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropropane-1,2-diyl dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropane-1,2-diyl dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.