1,1,1-Trichloropropan-2-yl propanoate
TL;DR: 1,1,1-Trichloropropan-2-yl propanoate (CAS 72037-39-9) is a chemical compound with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloropropan-2-yl propanoate
Also Known As: 1,1,1-trichloropropan-2-yl propanoate, 2,2,2-Trichloro-1-methylethyl propionate, 2,2,2-Trichloro-1-methylethyl propionate #, Propanoic acid, 2,2,2-trichloro-1-methylethyl ester
| Molecular Formula | C6H9Cl3O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.96681 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 72037-39-9 |
|---|---|
| SMILES | CCC(=O)OC(C)C(Cl)(Cl)Cl |
| InChIKey | VXRBEUCXWCLGJH-UHFFFAOYSA-N |
Product Overview
1,1,1-Trichloropropan-2-yl propanoate (CAS 72037-39-9), with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol. IUPAC: 1,1,1-trichloropropan-2-yl propanoate.
Chemical Property Profile of 1,1,1-Trichloropropan-2-yl propanoate
Property Insights of 1,1,1-Trichloropropan-2-yl propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloropropan-2-yl propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1,1-Trichloropropan-2-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloropropan-2-yl propanoate 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 1,1,1-Trichloropropan-2-yl propanoate?
The CAS number of 1,1,1-Trichloropropan-2-yl propanoate is 72037-39-9.
What is the molecular formula of 1,1,1-Trichloropropan-2-yl propanoate?
The molecular formula of 1,1,1-Trichloropropan-2-yl propanoate is C6H9Cl3O2.
What is the molecular weight of 1,1,1-Trichloropropan-2-yl propanoate?
The molecular weight of 1,1,1-Trichloropropan-2-yl propanoate is 217.97 g/mol.
Where can I buy 1,1,1-Trichloropropan-2-yl propanoate?
You can request a quote for 1,1,1-Trichloropropan-2-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloropropan-2-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloropropan-2-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.