![2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide structure](/static/products/4904/4904-18-1.webp)
2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
TL;DR: 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CAS 4904-18-1) is a chemical compound with molecular formula C20H20Cl2N5O3+ and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
Also Known As: 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide, rac-(1R,2R)-2-(pyridin-4-yl)cyclopropane-1-carboxylic acid hydrochloride, rac-(1R,2R)-2-(pyridin-4-yl)cyclopropane-1-carboxylic acid hydrochloride, trans, 2-[3-(3,4-dichlorophenyl)(1-pyrrolino[2,1-b]imidazolyl)]-N-(1,3-dimethyl-2,6-d ioxo(1,3-dihydropyrimidin-4-yl))acetamide, 3-(3,4-dichlorophenyl)-1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
| Molecular Formula | C20H20Cl2N5O3+ |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 1.7317 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.09433 |
| Heavy Atoms | 30 |
| Complexity | 1288.8148 |
Chemical Identifiers
| CAS Number | 4904-18-1 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CAS 4904-18-1), with molecular formula C20H20Cl2N5O3+ and molecular weight 448.09 g/mol. IUPAC: 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
Chemical Property Profile of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
Property Insights of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
The XLogP value of 1.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide. Following Lipinski's Rule of Five, 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide has 1 hydrogen bond donor(s) and 3 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 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The CAS number of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is 4904-18-1.
What is the molecular formula of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The molecular formula of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is C20H20Cl2N5O3+.
What is the molecular weight of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The molecular weight of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is 448.09 g/mol.
Where can I buy 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
You can request a quote for 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.