(4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate
TL;DR: (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate (CAS 300690-63-5) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate
Also Known As: BAS 00129541, (4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate, 2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylmethyl)-isothiourea, (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate, (4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl carbamimidothioate
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 2.51237 |
| Topological Polar Surface Area | 84.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 889.53644 |
Chemical Identifiers
| CAS Number | 300690-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N |
Product Overview
(4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate (CAS 300690-63-5), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: (4-oxo-3-phenylquinazolin-2-yl)methyl carbamimidothioate.
Chemical Property Profile of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate
Property Insights of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate
The XLogP value of 2.51237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate. The TPSA of 84.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate. Following Lipinski's Rule of Five, (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate has 2 hydrogen bond donor(s) and 4 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 (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate?
The CAS number of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate is 300690-63-5.
What is the molecular formula of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate?
The molecular formula of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate is C16H14N4OS.
What is the molecular weight of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate?
The molecular weight of (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate is 310.09 g/mol.
Where can I buy (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate?
You can request a quote for (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)methyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.