4-formyl-1H-pyrrole-2-carbonitrile
TL;DR: 4-formyl-1H-pyrrole-2-carbonitrile (CAS 66832-11-9) is a chemical compound with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 4-formyl-1H-pyrrole-2-carbonitrile, BAS 02563198, N-(3-Chloro-4-methylphenyl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-methyl-phenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H21ClN4O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.66622 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.10736 |
| Heavy Atoms | 28 |
| Complexity | 972.8371 |
Chemical Identifiers
| CAS Number | 66832-11-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Cl)C3=CC=C(C=C3)OC |
Product Overview
4-formyl-1H-pyrrole-2-carbonitrile (CAS 66832-11-9), with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 4-formyl-1H-pyrrole-2-carbonitrile
Property Insights of 4-formyl-1H-pyrrole-2-carbonitrile
The XLogP value of 4.66622 indicates that 4-formyl-1H-pyrrole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-formyl-1H-pyrrole-2-carbonitrile. Following Lipinski's Rule of Five, 4-formyl-1H-pyrrole-2-carbonitrile has 1 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 4-formyl-1H-pyrrole-2-carbonitrile?
The CAS number of 4-formyl-1H-pyrrole-2-carbonitrile is 66832-11-9.
What is the molecular formula of 4-formyl-1H-pyrrole-2-carbonitrile?
The molecular formula of 4-formyl-1H-pyrrole-2-carbonitrile is C20H21ClN4O2S.
What is the molecular weight of 4-formyl-1H-pyrrole-2-carbonitrile?
The molecular weight of 4-formyl-1H-pyrrole-2-carbonitrile is 416.11 g/mol.
Where can I buy 4-formyl-1H-pyrrole-2-carbonitrile?
You can request a quote for 4-formyl-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-formyl-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-formyl-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.