BAS 00629122
TL;DR: BAS 00629122 (CAS 326902-93-6) is a chemical compound with molecular formula C21H18Cl2FN3O2 and molecular weight 433.08 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-fluorophenyl)piperazin-1-yl]methanone
Also Known As: BAS 00629122, 1-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-(4-fluorophenyl)piperazine, [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone, 1-[3-(2,6-DICHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBONYL]-4-(4-FLUOROPHENYL)PIPERAZINE, (3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanone
| Molecular Formula | C21H18Cl2FN3O2 |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 5.05832 |
| Topological Polar Surface Area | 49.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.07602 |
| Heavy Atoms | 29 |
| Complexity | 1024.3298 |
Chemical Identifiers
| CAS Number | 326902-93-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
BAS 00629122 (CAS 326902-93-6), with molecular formula C21H18Cl2FN3O2 and molecular weight 433.08 g/mol. IUPAC: [3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of BAS 00629122
Property Insights of BAS 00629122
The XLogP value of 5.05832 indicates that BAS 00629122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.58 Ų, BAS 00629122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00629122 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 BAS 00629122?
The CAS number of BAS 00629122 is 326902-93-6.
What is the molecular formula of BAS 00629122?
The molecular formula of BAS 00629122 is C21H18Cl2FN3O2.
What is the molecular weight of BAS 00629122?
The molecular weight of BAS 00629122 is 433.08 g/mol.
Where can I buy BAS 00629122?
You can request a quote for BAS 00629122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00629122?
Yes, KEHONG BIO provides custom synthesis services for BAS 00629122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.