Bionet1_000529
TL;DR: Bionet1_000529 (CAS 242471-89-2) is a chemical compound with molecular formula C16H16Cl2N4O2S and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-ethylthiourea
Also Known As: Bionet1_000529, 2-{[1-(2,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbonyl}-N-ethyl-1-hydrazinecarbothioamide, 1-[[1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-ethylthiourea, 1-[(2,4-dichlorophenyl)methyl]-N-[(ethylcarbamothioyl)amino]-2-oxo-1,2-dihydropyridine-3-carboxamide, 1-[[1-(2,4-dichlorobenzyl)-2-keto-nicotinoyl]amino]-3-ethyl-thiourea
| Molecular Formula | C16H16Cl2N4O2S |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 2.3322 |
| Topological Polar Surface Area | 75.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0371 |
| Heavy Atoms | 25 |
| Complexity | 854.2686 |
Chemical Identifiers
| CAS Number | 242471-89-2 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Bionet1_000529 (CAS 242471-89-2), with molecular formula C16H16Cl2N4O2S and molecular weight 398.04 g/mol. IUPAC: 1-[[1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-ethylthiourea.
Chemical Property Profile of Bionet1_000529
Property Insights of Bionet1_000529
The XLogP value of 2.3322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000529. The TPSA of 75.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000529. Following Lipinski's Rule of Five, Bionet1_000529 has 3 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 Bionet1_000529?
The CAS number of Bionet1_000529 is 242471-89-2.
What is the molecular formula of Bionet1_000529?
The molecular formula of Bionet1_000529 is C16H16Cl2N4O2S.
What is the molecular weight of Bionet1_000529?
The molecular weight of Bionet1_000529 is 398.04 g/mol.
Where can I buy Bionet1_000529?
You can request a quote for Bionet1_000529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000529?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.