3-Chloropropane-1,2-diyl dipropanoate
TL;DR: 3-Chloropropane-1,2-diyl dipropanoate (CAS 86273-55-4) is a chemical compound with molecular formula C9H15ClO4 and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-propanoyloxypropyl) propanoate
Also Known As: 3-chloropropane-1,2-diyl dipropanoate, (3-chloro-2-propanoyloxypropyl) propanoate
| Molecular Formula | C9H15ClO4 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.06589 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 86273-55-4 |
|---|---|
| SMILES | CCC(=O)OCC(CCl)OC(=O)CC |
| InChIKey | GKBJJKSFBRKTIY-UHFFFAOYSA-N |
Product Overview
3-Chloropropane-1,2-diyl dipropanoate (CAS 86273-55-4), with molecular formula C9H15ClO4 and molecular weight 222.07 g/mol. IUPAC: (3-chloro-2-propanoyloxypropyl) propanoate.
Chemical Property Profile of 3-Chloropropane-1,2-diyl dipropanoate
Property Insights of 3-Chloropropane-1,2-diyl dipropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropropane-1,2-diyl dipropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Chloropropane-1,2-diyl dipropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropropane-1,2-diyl dipropanoate 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 dipropanoate?
The CAS number of 3-Chloropropane-1,2-diyl dipropanoate is 86273-55-4.
What is the molecular formula of 3-Chloropropane-1,2-diyl dipropanoate?
The molecular formula of 3-Chloropropane-1,2-diyl dipropanoate is C9H15ClO4.
What is the molecular weight of 3-Chloropropane-1,2-diyl dipropanoate?
The molecular weight of 3-Chloropropane-1,2-diyl dipropanoate is 222.07 g/mol.
Where can I buy 3-Chloropropane-1,2-diyl dipropanoate?
You can request a quote for 3-Chloropropane-1,2-diyl dipropanoate 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 dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropropane-1,2-diyl dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.