5-24-04-00217 (Beilstein Handbook Reference)
TL;DR: 5-24-04-00217 (Beilstein Handbook Reference) (CAS 72045-74-0) is a chemical compound with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide
Also Known As: 5-24-04-00217 (Beilstein Handbook Reference), 1-(3-Methyl-2-(4-oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)butyryl)-3-(m-tolyl)-2-thiourea, Urea, 1-(3-methyl-2-(4-oxo-2-phenyl-3,4-dihydro-3-quinazolinyl)butyryl)-3-(m-tolyl)-2-thio-, 3-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide, 1-[3-Methyl-2-(4-oxo-2-phenyl-3,4-dihydroquinazolin-3-yl)butyryl]-3-(m-tolyl)thiourea
| Molecular Formula | C27H26N4O2S |
|---|---|
| Molecular Weight | 470.18 g/mol |
| LogP | 5.08222 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.17764 |
| Heavy Atoms | 34 |
| Complexity | 1413.3387 |
Chemical Identifiers
| CAS Number | 72045-74-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NC(=O)C(C(C)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 |
Product Overview
5-24-04-00217 (Beilstein Handbook Reference) (CAS 72045-74-0), with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol. IUPAC: 3-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide.
Chemical Property Profile of 5-24-04-00217 (Beilstein Handbook Reference)
Property Insights of 5-24-04-00217 (Beilstein Handbook Reference)
The XLogP value of 5.08222 indicates that 5-24-04-00217 (Beilstein Handbook Reference) 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 5-24-04-00217 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-24-04-00217 (Beilstein Handbook Reference) 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 5-24-04-00217 (Beilstein Handbook Reference)?
The CAS number of 5-24-04-00217 (Beilstein Handbook Reference) is 72045-74-0.
What is the molecular formula of 5-24-04-00217 (Beilstein Handbook Reference)?
The molecular formula of 5-24-04-00217 (Beilstein Handbook Reference) is C27H26N4O2S.
What is the molecular weight of 5-24-04-00217 (Beilstein Handbook Reference)?
The molecular weight of 5-24-04-00217 (Beilstein Handbook Reference) is 470.18 g/mol.
Where can I buy 5-24-04-00217 (Beilstein Handbook Reference)?
You can request a quote for 5-24-04-00217 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-24-04-00217 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-24-04-00217 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.