(2,4,6-Trichlorophenyl) butanoate
TL;DR: (2,4,6-Trichlorophenyl) butanoate (CAS 7512-81-4) is a chemical compound with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trichlorophenyl) butanoate
Also Known As: (2,4,6-trichlorophenyl) butanoate, 2,4,6-Trichlorophenyl butyrate, NIOSH/ET6666666, 2,4,6-TRICHLOROPHENYL BUTANOATE, Butyric acid, 2,4,6-trichlorophenyl ester
| Molecular Formula | C10H9Cl3O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.96683 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 7512-81-4 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |
| InChIKey | QQSNAFDIYXJZFA-UHFFFAOYSA-N |
Product Overview
(2,4,6-Trichlorophenyl) butanoate (CAS 7512-81-4), with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol. IUPAC: (2,4,6-trichlorophenyl) butanoate.
Chemical Property Profile of (2,4,6-Trichlorophenyl) butanoate
Property Insights of (2,4,6-Trichlorophenyl) butanoate
The XLogP value of 4.4 indicates that (2,4,6-Trichlorophenyl) butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,4,6-Trichlorophenyl) butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,6-Trichlorophenyl) butanoate 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 (2,4,6-Trichlorophenyl) butanoate?
The CAS number of (2,4,6-Trichlorophenyl) butanoate is 7512-81-4.
What is the molecular formula of (2,4,6-Trichlorophenyl) butanoate?
The molecular formula of (2,4,6-Trichlorophenyl) butanoate is C10H9Cl3O2.
What is the molecular weight of (2,4,6-Trichlorophenyl) butanoate?
The molecular weight of (2,4,6-Trichlorophenyl) butanoate is 265.97 g/mol.
Where can I buy (2,4,6-Trichlorophenyl) butanoate?
You can request a quote for (2,4,6-Trichlorophenyl) butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,6-Trichlorophenyl) butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-Trichlorophenyl) butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.