MixCom6_001061
TL;DR: MixCom6_001061 (CAS 331848-07-8) is a chemical compound with molecular formula C21H18Cl3N3O2 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Also Known As: MixCom6_001061, BAS 00629121, BIM-0024206.P001, 1-(3-chlorophenyl)-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine, [4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
| Molecular Formula | C21H18Cl3N3O2 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 5.57262 |
| Topological Polar Surface Area | 49.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.04645 |
| Heavy Atoms | 29 |
| Complexity | 1038.825 |
Chemical Identifiers
| CAS Number | 331848-07-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
MixCom6_001061 (CAS 331848-07-8), with molecular formula C21H18Cl3N3O2 and molecular weight 449.05 g/mol. IUPAC: [4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
Chemical Property Profile of MixCom6_001061
Property Insights of MixCom6_001061
The XLogP value of 5.57262 indicates that MixCom6_001061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.58 Ų, MixCom6_001061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_001061 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_001061?
The CAS number of MixCom6_001061 is 331848-07-8.
What is the molecular formula of MixCom6_001061?
The molecular formula of MixCom6_001061 is C21H18Cl3N3O2.
What is the molecular weight of MixCom6_001061?
The molecular weight of MixCom6_001061 is 449.05 g/mol.
Where can I buy MixCom6_001061?
You can request a quote for MixCom6_001061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001061?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.