4K-008
TL;DR: 4K-008 (CAS 339276-60-7) is a chemical compound with molecular formula C20H11Cl2FN2O2S and molecular weight 431.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-5-yl]-(4-chlorophenyl)methanone
Also Known As: 4K-008, {2-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-1,3-thiazol-5-yl}(4-chlorophenyl)methanone, [2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-5-yl]-(4-chlorophenyl)methanone, 3-(2-chloro-6-fluorophenyl)-4-[5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
| Molecular Formula | C20H11Cl2FN2O2S |
|---|---|
| Molecular Weight | 431.99 g/mol |
| LogP | 6.45042 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.99023 |
| Heavy Atoms | 28 |
| Complexity | 1165.1462 |
Chemical Identifiers
| CAS Number | 339276-60-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NC=C(S3)C(=O)C4=CC=C(C=C4)Cl |
Product Overview
4K-008 (CAS 339276-60-7), with molecular formula C20H11Cl2FN2O2S and molecular weight 431.99 g/mol. IUPAC: [2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-5-yl]-(4-chlorophenyl)methanone.
Chemical Property Profile of 4K-008
Property Insights of 4K-008
The XLogP value of 6.45042 indicates that 4K-008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, 4K-008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-008 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4K-008?
The CAS number of 4K-008 is 339276-60-7.
What is the molecular formula of 4K-008?
The molecular formula of 4K-008 is C20H11Cl2FN2O2S.
What is the molecular weight of 4K-008?
The molecular weight of 4K-008 is 431.99 g/mol.
Where can I buy 4K-008?
You can request a quote for 4K-008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-008?
Yes, KEHONG BIO provides custom synthesis services for 4K-008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.