![3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride structure](/static/products/103/1035960-39-4.png)
3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
TL;DR: 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride (CAS 1035960-39-4) is a chemical compound with molecular formula C14H13Cl2N3 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetonitrile chloride
Also Known As: 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride, 2-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetonitrile chloride
| Molecular Formula | C14H13Cl2N3 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | -0.43022 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.04865 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 1035960-39-4 |
|---|---|
| SMILES | C1CC2=[N+](C=C(N2C1)C3=CC=C(C=C3)Cl)CC#N.[Cl-] |
| InChIKey | IMQYNYSDHLKZPL-UHFFFAOYSA-M |
Product Overview
3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride (CAS 1035960-39-4), with molecular formula C14H13Cl2N3 and molecular weight 293.05 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]acetonitrile chloride.
Chemical Property Profile of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
Property Insights of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
The XLogP value of -0.43022 indicates that 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.6 Ų, 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride has 0 hydrogen bond donor(s) and 2 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 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride?
The CAS number of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride is 1035960-39-4.
What is the molecular formula of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride?
The molecular formula of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride is C14H13Cl2N3.
What is the molecular weight of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride?
The molecular weight of 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride is 293.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride?
You can request a quote for 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1-(cyanomethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.