BRD-A81239726-001-01-4
TL;DR: BRD-A81239726-001-01-4 (CAS 958562-60-2) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
Also Known As: BRD-A81239726-001-01-4, F6548-3636, N-[(4-methoxyphenyl)methyl]-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide, N-(4-methoxybenzyl)-2-(3-oxo-5-thioxo-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-2-yl)acetamide, N-[(4-methoxyphenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.91519 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1124.4941 |
Chemical Identifiers
| CAS Number | 958562-60-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CC2C(=O)N3C(=C4C=CC=CC4=NC3=S)N2 |
Product Overview
BRD-A81239726-001-01-4 (CAS 958562-60-2), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-2-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide.
Chemical Property Profile of BRD-A81239726-001-01-4
Property Insights of BRD-A81239726-001-01-4
The XLogP value of 2.91519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-A81239726-001-01-4. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-A81239726-001-01-4. Following Lipinski's Rule of Five, BRD-A81239726-001-01-4 has 2 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-A81239726-001-01-4?
The CAS number of BRD-A81239726-001-01-4 is 958562-60-2.
What is the molecular formula of BRD-A81239726-001-01-4?
The molecular formula of BRD-A81239726-001-01-4 is C20H18N4O3S.
What is the molecular weight of BRD-A81239726-001-01-4?
The molecular weight of BRD-A81239726-001-01-4 is 394.11 g/mol.
Where can I buy BRD-A81239726-001-01-4?
You can request a quote for BRD-A81239726-001-01-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-A81239726-001-01-4?
Yes, KEHONG BIO provides custom synthesis services for BRD-A81239726-001-01-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.