Bionet1_002934
TL;DR: Bionet1_002934 (CAS 303985-76-4) is a chemical compound with molecular formula C21H19ClN4S and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
Also Known As: Bionet1_002934, 2-[(2-chlorobenzyl)sulfanyl]-4-(isopropylamino)-6-phenyl-5-pyrimidinecarbonitrile, 11L-647S, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-6-[(propan-2-yl)amino]pyrimidine-5-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propan-2-ylamino)pyrimidine-5-carbonitrile
| Molecular Formula | C21H19ClN4S |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 5.78128 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1019 |
| Heavy Atoms | 27 |
| Complexity | 967.66077 |
Chemical Identifiers
| CAS Number | 303985-76-4 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl |
Product Overview
Bionet1_002934 (CAS 303985-76-4), with molecular formula C21H19ClN4S and molecular weight 394.10 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propan-2-ylamino)pyrimidine-5-carbonitrile.
Chemical Property Profile of Bionet1_002934
Property Insights of Bionet1_002934
The XLogP value of 5.78128 indicates that Bionet1_002934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002934. Following Lipinski's Rule of Five, Bionet1_002934 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002934?
The CAS number of Bionet1_002934 is 303985-76-4.
What is the molecular formula of Bionet1_002934?
The molecular formula of Bionet1_002934 is C21H19ClN4S.
What is the molecular weight of Bionet1_002934?
The molecular weight of Bionet1_002934 is 394.10 g/mol.
Where can I buy Bionet1_002934?
You can request a quote for Bionet1_002934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002934?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.