N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide
TL;DR: N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide (CAS 878994-89-9) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-amino-2-sulfanylidenequinazolin-3-yl)-2-methoxybenzamide
Also Known As: AT-057/43468308, N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide, N-(4-imino-2-mercaptoquinazolin-3(4H)-yl)-2-methoxybenzamide, N-(4-amino-2-sulfanylidenequinazolin-3-yl)-2-methoxybenzamide, N-(4-imino-2-sulfanyl-3(4H)-quinazolinyl)-2-methoxybenzamide
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.74049 |
| Topological Polar Surface Area | 82.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 952.20825 |
Chemical Identifiers
| CAS Number | 878994-89-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NN2C(=C3C=CC=CC3=NC2=S)N |
Product Overview
N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide (CAS 878994-89-9), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: N-(4-amino-2-sulfanylidenequinazolin-3-yl)-2-methoxybenzamide.
Chemical Property Profile of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide
Property Insights of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide
The XLogP value of 2.74049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide. The TPSA of 82.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide. Following Lipinski's Rule of Five, N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide has 2 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 N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide?
The CAS number of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide is 878994-89-9.
What is the molecular formula of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide?
The molecular formula of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide is C16H14N4O2S.
What is the molecular weight of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide?
The molecular weight of N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide is 326.08 g/mol.
Where can I buy N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide?
You can request a quote for N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-imino-2-sulfanylquinazolin-3(4H)-yl)-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.