Antitrypanosomal agent 2
TL;DR: Antitrypanosomal agent 2 (CAS 475626-30-3) is a chemical compound with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile
Also Known As: Antitrypanosomal agent 2, 3-(3-phenyl-4-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrazol-1-yl)propanenitrile, 3-[3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile, 3-{3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-pyrazol-1-yl}propanenitrile, 3-(3-PHENYL-4-[(2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)METHYL]-1H-PYRAZOL-1-YL)PROPANENITRILE
| Molecular Formula | C17H13N5O3 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 1.21318 |
| Topological Polar Surface Area | 116.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10184 |
| Heavy Atoms | 25 |
| Complexity | 899.5051 |
Chemical Identifiers
| CAS Number | 475626-30-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)CCC#N |
Product Overview
Antitrypanosomal agent 2 (CAS 475626-30-3), with molecular formula C17H13N5O3 and molecular weight 335.10 g/mol. IUPAC: 3-[3-phenyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile.
Chemical Property Profile of Antitrypanosomal agent 2
Property Insights of Antitrypanosomal agent 2
The XLogP value of 1.21318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antitrypanosomal agent 2. The TPSA of 116.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Antitrypanosomal agent 2. Following Lipinski's Rule of Five, Antitrypanosomal agent 2 has 2 hydrogen bond donor(s) and 5 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 Antitrypanosomal agent 2?
The CAS number of Antitrypanosomal agent 2 is 475626-30-3.
What is the molecular formula of Antitrypanosomal agent 2?
The molecular formula of Antitrypanosomal agent 2 is C17H13N5O3.
What is the molecular weight of Antitrypanosomal agent 2?
The molecular weight of Antitrypanosomal agent 2 is 335.10 g/mol.
Where can I buy Antitrypanosomal agent 2?
You can request a quote for Antitrypanosomal agent 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antitrypanosomal agent 2?
Yes, KEHONG BIO provides custom synthesis services for Antitrypanosomal agent 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.