![2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione structure](/static/products/1008/1008035-71-9.webp)
2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
TL;DR: 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CAS 1008035-71-9) is a chemical compound with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Also Known As: A3638/0154403, 2-[(4-chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione, 2-{[(4-chlorophenyl)amino]methyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
| Molecular Formula | C13H14ClN3O2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.136 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.07745 |
| Heavy Atoms | 19 |
| Complexity | 495.12454 |
Chemical Identifiers
| CAS Number | 1008035-71-9 |
|---|---|
| SMILES | C1CC2C(=O)N(C(=O)N2C1)CNC3=CC=C(C=C3)Cl |
Product Overview
2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CAS 1008035-71-9), with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol. IUPAC: 2-[(4-chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
Chemical Property Profile of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Property Insights of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
The XLogP value of 2.136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione. With a topological polar surface area (TPSA) of 52.65 Ų, 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione 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-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The CAS number of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is 1008035-71-9.
What is the molecular formula of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The molecular formula of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is C13H14ClN3O2.
What is the molecular weight of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The molecular weight of 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is 279.08 g/mol.
Where can I buy 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
You can request a quote for 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chloroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.