BAS 00944158
TL;DR: BAS 00944158 (CAS 333768-54-0) is a chemical compound with molecular formula C22H18Cl2N4O3 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: BAS 00944158, 3-(2,6-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxamide, 3-(2,6-Dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methylisoxazole-4-carboxamide, 3-(2,6-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxamide, 3-(2,6-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-4-isoxazolecarboxamide
| Molecular Formula | C22H18Cl2N4O3 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0756 |
| Heavy Atoms | 31 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 333768-54-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C |
| InChIKey | AWQZJFGTYPBFMR-UHFFFAOYSA-N |
Product Overview
BAS 00944158 (CAS 333768-54-0), with molecular formula C22H18Cl2N4O3 and molecular weight 456.08 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of BAS 00944158
Property Insights of BAS 00944158
The XLogP value of 4.8 indicates that BAS 00944158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00944158. Following Lipinski's Rule of Five, BAS 00944158 has 1 hydrogen bond donor(s) and 5 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 00944158?
The CAS number of BAS 00944158 is 333768-54-0.
What is the molecular formula of BAS 00944158?
The molecular formula of BAS 00944158 is C22H18Cl2N4O3.
What is the molecular weight of BAS 00944158?
The molecular weight of BAS 00944158 is 456.08 g/mol.
Where can I buy BAS 00944158?
You can request a quote for BAS 00944158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00944158?
Yes, KEHONG BIO provides custom synthesis services for BAS 00944158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.