KST-1B3442
TL;DR: KST-1B3442 (CAS 3508-73-4) is a chemical compound with molecular formula C12H9ClF6O2 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one
Also Known As: KST-1B3442, 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one, 1-(4-Chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)-1-butanone, 1-Butanone, 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)-, 1-Butanone,1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)-
| Molecular Formula | C12H9ClF6O2 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.01953 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 3508-73-4 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)Cl)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | REBFFJVFICYDSW-UHFFFAOYSA-N |
Product Overview
KST-1B3442 (CAS 3508-73-4), with molecular formula C12H9ClF6O2 and molecular weight 334.02 g/mol. IUPAC: 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of KST-1B3442
Property Insights of KST-1B3442
The XLogP value of 4.2 indicates that KST-1B3442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, KST-1B3442 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3442 has 1 hydrogen bond donor(s) and 8 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 KST-1B3442?
The CAS number of KST-1B3442 is 3508-73-4.
What is the molecular formula of KST-1B3442?
The molecular formula of KST-1B3442 is C12H9ClF6O2.
What is the molecular weight of KST-1B3442?
The molecular weight of KST-1B3442 is 334.02 g/mol.
Where can I buy KST-1B3442?
You can request a quote for KST-1B3442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3442?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.