A4084/0174103
TL;DR: A4084/0174103 (CAS 879773-56-5) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
Also Known As: A4084/0174103, 2-(4-(furan-2-carbonyl)piperazin-1-yl)-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one, 2-[4-(FURAN-2-CARBONYL)PIPERAZIN-1-YL]-4-METHYL-7-(THIOPHEN-2-YL)-5,6,7,8-TETRAHYDROQUINAZOLIN-5-ONE, 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one, 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methyl-7-(thiophen-2-yl)-7,8-dihydroquinazolin-5(6H)-one
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.31462 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1070.2601 |
Chemical Identifiers
| CAS Number | 879773-56-5 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)CC(CC2=O)C5=CC=CS5 |
Product Overview
A4084/0174103 (CAS 879773-56-5), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one.
Chemical Property Profile of A4084/0174103
Property Insights of A4084/0174103
The XLogP value of 3.31462 indicates that A4084/0174103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A4084/0174103. Following Lipinski's Rule of Five, A4084/0174103 has 0 hydrogen bond donor(s) and 7 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 A4084/0174103?
The CAS number of A4084/0174103 is 879773-56-5.
What is the molecular formula of A4084/0174103?
The molecular formula of A4084/0174103 is C22H22N4O3S.
What is the molecular weight of A4084/0174103?
The molecular weight of A4084/0174103 is 422.14 g/mol.
Where can I buy A4084/0174103?
You can request a quote for A4084/0174103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4084/0174103?
Yes, KEHONG BIO provides custom synthesis services for A4084/0174103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.