ChemDiv3_008690
TL;DR: ChemDiv3_008690 (CAS 119426-88-9) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv3_008690, 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, IDI1_026600, BRD-K83615335-001-01-4, 3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-mercapto-3H-quinazolin-4-one
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 2.84611 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1309.6097 |
Chemical Identifiers
| CAS Number | 119426-88-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=S |
Product Overview
ChemDiv3_008690 (CAS 119426-88-9), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv3_008690
Property Insights of ChemDiv3_008690
The XLogP value of 2.84611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008690. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008690. Following Lipinski's Rule of Five, ChemDiv3_008690 has 1 hydrogen bond donor(s) and 3 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 ChemDiv3_008690?
The CAS number of ChemDiv3_008690 is 119426-88-9.
What is the molecular formula of ChemDiv3_008690?
The molecular formula of ChemDiv3_008690 is C19H16N4O2S.
What is the molecular weight of ChemDiv3_008690?
The molecular weight of ChemDiv3_008690 is 364.10 g/mol.
Where can I buy ChemDiv3_008690?
You can request a quote for ChemDiv3_008690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008690?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.