BAS 00774654
TL;DR: BAS 00774654 (CAS 6176-85-8) is a chemical compound with molecular formula C21H21Cl3N4O2 and molecular weight 466.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]benzamide
Also Known As: BAS 00774654, 3-methyl-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzamide, 3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]benzamide, 3-Methyl-N-{2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]ethyl}benzene-1-carboximidic acid
| Molecular Formula | C21H21Cl3N4O2 |
|---|---|
| Molecular Weight | 466.07 g/mol |
| LogP | 4.33104 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.073 |
| Heavy Atoms | 30 |
| Complexity | 1117.5155 |
Chemical Identifiers
| CAS Number | 6176-85-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
Product Overview
BAS 00774654 (CAS 6176-85-8), with molecular formula C21H21Cl3N4O2 and molecular weight 466.07 g/mol. IUPAC: 3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]ethyl]benzamide.
Chemical Property Profile of BAS 00774654
Property Insights of BAS 00774654
The XLogP value of 4.33104 indicates that BAS 00774654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00774654. Following Lipinski's Rule of Five, BAS 00774654 has 2 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 BAS 00774654?
The CAS number of BAS 00774654 is 6176-85-8.
What is the molecular formula of BAS 00774654?
The molecular formula of BAS 00774654 is C21H21Cl3N4O2.
What is the molecular weight of BAS 00774654?
The molecular weight of BAS 00774654 is 466.07 g/mol.
Where can I buy BAS 00774654?
You can request a quote for BAS 00774654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00774654?
Yes, KEHONG BIO provides custom synthesis services for BAS 00774654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.