J1.611.729C
TL;DR: J1.611.729C (CAS 24848-47-3) is a chemical compound with molecular formula C12H16Cl3N5 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[butan-2-yl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Also Known As: J1.611.729C, 3-(BUTYL(4-METHYL-6-(TRICHLOROMETHYL)-S-TRIA*)), 3-[butan-2-yl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile, 3-[(butan-2-yl)[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile, 3-[sec-Butyl[4-methyl-6-(trichloromethyl)-s-triazine-2-yl]amino]propionitrile
| Molecular Formula | C12H16Cl3N5 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.04712 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 24848-47-3 |
|---|---|
| SMILES | CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C |
| InChIKey | VQDSOUGPNZXCHY-UHFFFAOYSA-N |
Product Overview
J1.611.729C (CAS 24848-47-3), with molecular formula C12H16Cl3N5 and molecular weight 335.05 g/mol. IUPAC: 3-[butan-2-yl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile.
Chemical Property Profile of J1.611.729C
Property Insights of J1.611.729C
The XLogP value of 3.5 indicates that J1.611.729C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.611.729C. Following Lipinski's Rule of Five, J1.611.729C has 0 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 J1.611.729C?
The CAS number of J1.611.729C is 24848-47-3.
What is the molecular formula of J1.611.729C?
The molecular formula of J1.611.729C is C12H16Cl3N5.
What is the molecular weight of J1.611.729C?
The molecular weight of J1.611.729C is 335.05 g/mol.
Where can I buy J1.611.729C?
You can request a quote for J1.611.729C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.611.729C?
Yes, KEHONG BIO provides custom synthesis services for J1.611.729C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.