3-Acetyloxy-4,4,4-trichlorobutanoic acid
TL;DR: 3-Acetyloxy-4,4,4-trichlorobutanoic acid (CAS 10526-27-9) is a chemical compound with molecular formula C6H7Cl3O4 and molecular weight 247.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxy-4,4,4-trichlorobutanoic acid
Also Known As: 3-acetyloxy-4,4,4-trichlorobutanoic acid, 3-(acetyloxy)-4,4,4-trichlorobutanoic acid, 3-acetoxy-4,4,4-trichloro-butyric acid, Butanoicacid, 3-(acetyloxy)-4,4,4-trichloro-
| Molecular Formula | C6H7Cl3O4 |
|---|---|
| Molecular Weight | 247.94 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.941 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 10526-27-9 |
|---|---|
| SMILES | CC(=O)OC(CC(=O)O)C(Cl)(Cl)Cl |
| InChIKey | LXAIPLYXFWBQCO-UHFFFAOYSA-N |
Product Overview
3-Acetyloxy-4,4,4-trichlorobutanoic acid (CAS 10526-27-9), with molecular formula C6H7Cl3O4 and molecular weight 247.94 g/mol. IUPAC: 3-acetyloxy-4,4,4-trichlorobutanoic acid.
Chemical Property Profile of 3-Acetyloxy-4,4,4-trichlorobutanoic acid
Property Insights of 3-Acetyloxy-4,4,4-trichlorobutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyloxy-4,4,4-trichlorobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyloxy-4,4,4-trichlorobutanoic acid. Following Lipinski's Rule of Five, 3-Acetyloxy-4,4,4-trichlorobutanoic acid has 1 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-Acetyloxy-4,4,4-trichlorobutanoic acid?
The CAS number of 3-Acetyloxy-4,4,4-trichlorobutanoic acid is 10526-27-9.
What is the molecular formula of 3-Acetyloxy-4,4,4-trichlorobutanoic acid?
The molecular formula of 3-Acetyloxy-4,4,4-trichlorobutanoic acid is C6H7Cl3O4.
What is the molecular weight of 3-Acetyloxy-4,4,4-trichlorobutanoic acid?
The molecular weight of 3-Acetyloxy-4,4,4-trichlorobutanoic acid is 247.94 g/mol.
Where can I buy 3-Acetyloxy-4,4,4-trichlorobutanoic acid?
You can request a quote for 3-Acetyloxy-4,4,4-trichlorobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyloxy-4,4,4-trichlorobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyloxy-4,4,4-trichlorobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.