Urea,1-(3- -3- -2-thio-
TL;DR: Urea,1-(3- -3- -2-thio- (CAS 72045-67-1) is a chemical compound with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
Also Known As: Urea,1-(3- -3- -2-thio-, 5-24-04-00216 (Beilstein Handbook Reference), Urea, 1-(3-(4-oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)propionyl)-3-(p-tolyl)-2-thio-, 1-(3-(4-Oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)propionyl)-3-(p-tolyl)-2-thiourea, N-[(4-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
| Molecular Formula | C25H22N4O2S |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.27522 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.14636 |
| Heavy Atoms | 32 |
| Complexity | 1331.9144 |
Chemical Identifiers
| CAS Number | 72045-67-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 |
Product Overview
Urea,1-(3- -3- -2-thio- (CAS 72045-67-1), with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol. IUPAC: N-[(4-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide.
Chemical Property Profile of Urea,1-(3- -3- -2-thio-
Property Insights of Urea,1-(3- -3- -2-thio-
The XLogP value of 4.27522 indicates that Urea,1-(3- -3- -2-thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea,1-(3- -3- -2-thio-. Following Lipinski's Rule of Five, Urea,1-(3- -3- -2-thio- 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 Urea,1-(3- -3- -2-thio-?
The CAS number of Urea,1-(3- -3- -2-thio- is 72045-67-1.
What is the molecular formula of Urea,1-(3- -3- -2-thio-?
The molecular formula of Urea,1-(3- -3- -2-thio- is C25H22N4O2S.
What is the molecular weight of Urea,1-(3- -3- -2-thio-?
The molecular weight of Urea,1-(3- -3- -2-thio- is 442.15 g/mol.
Where can I buy Urea,1-(3- -3- -2-thio-?
You can request a quote for Urea,1-(3- -3- -2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea,1-(3- -3- -2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Urea,1-(3- -3- -2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.