1-(alpha- -3- -2-thiourea
TL;DR: 1-(alpha- -3- -2-thiourea (CAS 72045-81-9) is a chemical compound with molecular formula C31H26N4O2S and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanamide
Also Known As: 1-(alpha- -3- -2-thiourea, 5-24-04-00219 (Beilstein Handbook Reference), 1-(alpha-(4-Oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)hydrocinnamoyl)-3-(o-tolyl)-2-thiourea, Urea, 1-(alpha-(4-oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)hydrocinnamoyl)-3-(o-tolyl)-2-thio-, N-[(2-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanamide
| Molecular Formula | C31H26N4O2S |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 5.66892 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1777 |
| Heavy Atoms | 38 |
| Complexity | 1666.6257 |
Chemical Identifiers
| CAS Number | 72045-81-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)NC(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5 |
Product Overview
1-(alpha- -3- -2-thiourea (CAS 72045-81-9), with molecular formula C31H26N4O2S and molecular weight 518.18 g/mol. IUPAC: N-[(2-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanamide.
Chemical Property Profile of 1-(alpha- -3- -2-thiourea
Property Insights of 1-(alpha- -3- -2-thiourea
The XLogP value of 5.66892 indicates that 1-(alpha- -3- -2-thiourea 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 1-(alpha- -3- -2-thiourea. Following Lipinski's Rule of Five, 1-(alpha- -3- -2-thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(alpha- -3- -2-thiourea?
The CAS number of 1-(alpha- -3- -2-thiourea is 72045-81-9.
What is the molecular formula of 1-(alpha- -3- -2-thiourea?
The molecular formula of 1-(alpha- -3- -2-thiourea is C31H26N4O2S.
What is the molecular weight of 1-(alpha- -3- -2-thiourea?
The molecular weight of 1-(alpha- -3- -2-thiourea is 518.18 g/mol.
Where can I buy 1-(alpha- -3- -2-thiourea?
You can request a quote for 1-(alpha- -3- -2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(alpha- -3- -2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(alpha- -3- -2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.