3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile
TL;DR: 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile (CAS 144062-77-1) is a chemical compound with molecular formula C22H25Cl2N5 and molecular weight 429.1487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile
Also Known As: 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile, 3,5-dichloro-1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carbonitrile
Technical Specifications
| Molecular Formula | C22H25Cl2N5 |
| Molecular Weight | 429.1487 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1487 Da |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
| SMILES | CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C(=CC(=C3C#N)Cl)Cl |
| InChIKey | ISYAGHAMNXARMV-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile
Property Insights of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile
The XLogP value of 7.1 indicates that 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile?
The CAS number of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile is 144062-77-1.
What is the molecular formula of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile?
The molecular formula of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile is C22H25Cl2N5.
What is the molecular weight of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile?
The molecular weight of 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile is 429.1487 g/mol.
Where can I buy 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile?
You can request a quote for 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Dichloro-1-(4-((3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl)phenyl)-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.