BAS 02875944
TL;DR: BAS 02875944 (CAS 333784-80-8) is a chemical compound with molecular formula C26H25F3N4OS and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanone
Also Known As: BAS 02875944, AN-329/42286187, 1-(4-benzylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanone, 1-(4-benzylpiperazin-1-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}ethanone, 1-(4-BENZYLPIPERAZIN-1-YL)-2-{[4-(TRIFLUOROMETHYL)-5H,6H-BENZO[H]QUINAZOLIN-2-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C26H25F3N4OS |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 4.6975 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.1701 |
| Heavy Atoms | 35 |
| Complexity | 1210.9639 |
Chemical Identifiers
| CAS Number | 333784-80-8 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C(N=C2C(F)(F)F)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
BAS 02875944 (CAS 333784-80-8), with molecular formula C26H25F3N4OS and molecular weight 498.17 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 02875944
Property Insights of BAS 02875944
The XLogP value of 4.6975 indicates that BAS 02875944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, BAS 02875944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02875944 has 0 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 02875944?
The CAS number of BAS 02875944 is 333784-80-8.
What is the molecular formula of BAS 02875944?
The molecular formula of BAS 02875944 is C26H25F3N4OS.
What is the molecular weight of BAS 02875944?
The molecular weight of BAS 02875944 is 498.17 g/mol.
Where can I buy BAS 02875944?
You can request a quote for BAS 02875944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02875944?
Yes, KEHONG BIO provides custom synthesis services for BAS 02875944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.