BRD-A97332054-001-01-1
TL;DR: BRD-A97332054-001-01-1 (CAS 1028685-18-8) is a chemical compound with molecular formula C25H23F3N4O3S and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
Also Known As: BRD-A97332054-001-01-1, 2-(3-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-3-oxopropyl)-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one, F0921-6699, 2-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-oxopropyl]-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-3-one
| Molecular Formula | C25H23F3N4O3S |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 4.50929 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.1443 |
| Heavy Atoms | 36 |
| Complexity | 1413.6602 |
Chemical Identifiers
| CAS Number | 1028685-18-8 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CCC3C(=O)N4C(=C5C=CC=CC5=NC4=S)N3 |
Product Overview
BRD-A97332054-001-01-1 (CAS 1028685-18-8), with molecular formula C25H23F3N4O3S and molecular weight 516.14 g/mol. IUPAC: 2-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-oxopropyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.
Chemical Property Profile of BRD-A97332054-001-01-1
Property Insights of BRD-A97332054-001-01-1
The XLogP value of 4.50929 indicates that BRD-A97332054-001-01-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A97332054-001-01-1. Following Lipinski's Rule of Five, BRD-A97332054-001-01-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRD-A97332054-001-01-1?
The CAS number of BRD-A97332054-001-01-1 is 1028685-18-8.
What is the molecular formula of BRD-A97332054-001-01-1?
The molecular formula of BRD-A97332054-001-01-1 is C25H23F3N4O3S.
What is the molecular weight of BRD-A97332054-001-01-1?
The molecular weight of BRD-A97332054-001-01-1 is 516.14 g/mol.
Where can I buy BRD-A97332054-001-01-1?
You can request a quote for BRD-A97332054-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A97332054-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-A97332054-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.