4K-006
TL;DR: 4K-006 (CAS 551930-86-0) is a chemical compound with molecular formula C14H13ClFN3OS and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-N-(dimethylaminomethylidene)-5-methyl-1,2-oxazole-4-carbothioamide
Also Known As: 4K-006, 3-(2-chloro-6-fluorophenyl)-N-[(E)-(dimethylamino)methylidene]-5-methyl-4-isoxazolecarbothioamide, 3-(2-chloro-6-fluorophenyl)-N-(dimethylaminomethylidene)-5-methyl-1,2-oxazole-4-carbothioamide, 3-(2-chloro-6-fluorophenyl)-N-[(1E)-(dimethylamino)methylidene]-5-methyl-1,2-oxazole-4-carbothioamide, 3-(2-chloro-6-fluoro-phenyl)-N-(dimethylaminomethylidene)-5-methyl-1,2-oxazole-4-carbothioamide
| Molecular Formula | C14H13ClFN3OS |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.70792 |
| Topological Polar Surface Area | 41.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0452 |
| Heavy Atoms | 21 |
| Complexity | 691.9898 |
Chemical Identifiers
| CAS Number | 551930-86-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=S)N=CN(C)C |
Product Overview
4K-006 (CAS 551930-86-0), with molecular formula C14H13ClFN3OS and molecular weight 325.05 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-N-(dimethylaminomethylidene)-5-methyl-1,2-oxazole-4-carbothioamide.
Chemical Property Profile of 4K-006
Property Insights of 4K-006
The XLogP value of 3.70792 indicates that 4K-006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.63 Ų, 4K-006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-006 has 0 hydrogen bond donor(s) and 3 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 4K-006?
The CAS number of 4K-006 is 551930-86-0.
What is the molecular formula of 4K-006?
The molecular formula of 4K-006 is C14H13ClFN3OS.
What is the molecular weight of 4K-006?
The molecular weight of 4K-006 is 325.05 g/mol.
Where can I buy 4K-006?
You can request a quote for 4K-006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-006?
Yes, KEHONG BIO provides custom synthesis services for 4K-006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.