BAS 00666741
TL;DR: BAS 00666741 (CAS 331950-45-9) is a chemical compound with molecular formula C25H17ClF4N2OS and molecular weight 504.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-fluorobenzamide
Also Known As: BAS 00666741, N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-fluorobenzamide
| Molecular Formula | C25H17ClF4N2OS |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 8.21674 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.06863 |
| Heavy Atoms | 34 |
| Complexity | 1366.341 |
Chemical Identifiers
| CAS Number | 331950-45-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N(C2=NC(=C(S2)C3=CC=C(C=C3)Cl)C(F)(F)F)C(=O)C4=CC(=CC=C4)F)C |
Product Overview
BAS 00666741 (CAS 331950-45-9), with molecular formula C25H17ClF4N2OS and molecular weight 504.07 g/mol. IUPAC: N-[5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)-3-fluorobenzamide.
Chemical Property Profile of BAS 00666741
Property Insights of BAS 00666741
The XLogP value of 8.21674 indicates that BAS 00666741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, BAS 00666741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00666741 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00666741?
The CAS number of BAS 00666741 is 331950-45-9.
What is the molecular formula of BAS 00666741?
The molecular formula of BAS 00666741 is C25H17ClF4N2OS.
What is the molecular weight of BAS 00666741?
The molecular weight of BAS 00666741 is 504.07 g/mol.
Where can I buy BAS 00666741?
You can request a quote for BAS 00666741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666741?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.