BAS 00629246
TL;DR: BAS 00629246 (CAS 331848-28-3) is a chemical compound with molecular formula C21H18Cl2N4O4 and molecular weight 460.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Also Known As: BAS 00629246, [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone, 1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-{4-nitrophenyl}piperazine, 3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl 4-(4-nitrophenyl)piperazinyl keto ne, [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl][4-(4-nitrophenyl)piperazin-1-yl]methanone
| Molecular Formula | C21H18Cl2N4O4 |
|---|---|
| Molecular Weight | 460.07 g/mol |
| LogP | 4.82742 |
| Topological Polar Surface Area | 92.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.0705 |
| Heavy Atoms | 31 |
| Complexity | 1118.5315 |
Chemical Identifiers
| CAS Number | 331848-28-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00629246 (CAS 331848-28-3), with molecular formula C21H18Cl2N4O4 and molecular weight 460.07 g/mol. IUPAC: [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of BAS 00629246
Property Insights of BAS 00629246
The XLogP value of 4.82742 indicates that BAS 00629246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00629246. Following Lipinski's Rule of Five, BAS 00629246 has 0 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 BAS 00629246?
The CAS number of BAS 00629246 is 331848-28-3.
What is the molecular formula of BAS 00629246?
The molecular formula of BAS 00629246 is C21H18Cl2N4O4.
What is the molecular weight of BAS 00629246?
The molecular weight of BAS 00629246 is 460.07 g/mol.
Where can I buy BAS 00629246?
You can request a quote for BAS 00629246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00629246?
Yes, KEHONG BIO provides custom synthesis services for BAS 00629246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.