BRD-A05716876-001-01-2
TL;DR: BRD-A05716876-001-01-2 (CAS 958563-91-2) is a chemical compound with molecular formula C23H22ClN5O2S and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
Also Known As: BRD-A05716876-001-01-2, 2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one, F6548-3639, 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one, 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-3-one
| Molecular Formula | C23H22ClN5O2S |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 3.90081 |
| Topological Polar Surface Area | 70.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.1183 |
| Heavy Atoms | 32 |
| Complexity | 1299.2766 |
Chemical Identifiers
| CAS Number | 958563-91-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3C(=O)N4C(=C5C=CC=CC5=NC4=S)N3 |
Product Overview
BRD-A05716876-001-01-2 (CAS 958563-91-2), with molecular formula C23H22ClN5O2S and molecular weight 467.12 g/mol. IUPAC: 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.
Chemical Property Profile of BRD-A05716876-001-01-2
Property Insights of BRD-A05716876-001-01-2
The XLogP value of 3.90081 indicates that BRD-A05716876-001-01-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A05716876-001-01-2. Following Lipinski's Rule of Five, BRD-A05716876-001-01-2 has 1 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 BRD-A05716876-001-01-2?
The CAS number of BRD-A05716876-001-01-2 is 958563-91-2.
What is the molecular formula of BRD-A05716876-001-01-2?
The molecular formula of BRD-A05716876-001-01-2 is C23H22ClN5O2S.
What is the molecular weight of BRD-A05716876-001-01-2?
The molecular weight of BRD-A05716876-001-01-2 is 467.12 g/mol.
Where can I buy BRD-A05716876-001-01-2?
You can request a quote for BRD-A05716876-001-01-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A05716876-001-01-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-A05716876-001-01-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.