ChemDiv3_006431
TL;DR: ChemDiv3_006431 (CAS 724778-92-1) is a chemical compound with molecular formula C19H16N4OS3 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: ChemDiv3_006431, IDI1_024341, BRD-A90851596-001-01-2, 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C19H16N4OS3 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 4.71479 |
| Topological Polar Surface Area | 50.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0486 |
| Heavy Atoms | 27 |
| Complexity | 1014.19385 |
Chemical Identifiers
| CAS Number | 724778-92-1 |
|---|---|
| SMILES | C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4 |
Product Overview
ChemDiv3_006431 (CAS 724778-92-1), with molecular formula C19H16N4OS3 and molecular weight 412.05 g/mol. IUPAC: 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_006431
Property Insights of ChemDiv3_006431
The XLogP value of 4.71479 indicates that ChemDiv3_006431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.49 Ų, ChemDiv3_006431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006431 has 0 hydrogen bond donor(s) and 6 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_006431?
The CAS number of ChemDiv3_006431 is 724778-92-1.
What is the molecular formula of ChemDiv3_006431?
The molecular formula of ChemDiv3_006431 is C19H16N4OS3.
What is the molecular weight of ChemDiv3_006431?
The molecular weight of ChemDiv3_006431 is 412.05 g/mol.
Where can I buy ChemDiv3_006431?
You can request a quote for ChemDiv3_006431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006431?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.