K00579a
TL;DR: K00579a (CAS 445266-00-2) is a chemical compound with molecular formula C18H14F3N3O2S and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
Also Known As: K00579a, AM-807/12740052, [4-amino-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone, (4-amino-2-((3-(trifluoromethyl)phenyl)amino)thiazol-5-yl)(4-methoxyphenyl)methanone, (4-amino-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
| Molecular Formula | C18H14F3N3O2S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 4.7273 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.0759 |
| Heavy Atoms | 27 |
| Complexity | 968.72833 |
Chemical Identifiers
| CAS Number | 445266-00-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC(=C3)C(F)(F)F)N |
Product Overview
K00579a (CAS 445266-00-2), with molecular formula C18H14F3N3O2S and molecular weight 393.08 g/mol. IUPAC: [4-amino-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of K00579a
Property Insights of K00579a
The XLogP value of 4.7273 indicates that K00579a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for K00579a. Following Lipinski's Rule of Five, K00579a has 2 hydrogen bond donor(s) and 6 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 K00579a?
The CAS number of K00579a is 445266-00-2.
What is the molecular formula of K00579a?
The molecular formula of K00579a is C18H14F3N3O2S.
What is the molecular weight of K00579a?
The molecular weight of K00579a is 393.08 g/mol.
Where can I buy K00579a?
You can request a quote for K00579a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for K00579a?
Yes, KEHONG BIO provides custom synthesis services for K00579a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.