(3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide
TL;DR: (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide (CAS 1212391-98-4) is a chemical compound with molecular formula C20H22Cl2N6O and molecular weight 432.1232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,7aR)-N-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxamide
Also Known As: (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide, (3aR,7aR)-N-(3,5-dichlorophenyl)-2-((4,6-dimethylpyrimidin-2-yl)amino)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole-1-carboxamide
Technical Specifications
| Molecular Formula | C20H22Cl2N6O |
| Molecular Weight | 432.1232 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.1232 Da |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
| SMILES | CC1=CC(=NC(=N1)NC2=N[C@@H]3CCCC[C@H]3N2C(=O)NC4=CC(=CC(=C4)Cl)Cl)C |
| InChIKey | WTDXSHNXEDCIFK-IAGOWNOFSA-N |
Chemical Property Profile of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide
Property Insights of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide
The XLogP value of 4.5 indicates that (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide. Following Lipinski's Rule of Five, (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide?
The CAS number of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide is 1212391-98-4.
What is the molecular formula of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide?
The molecular formula of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide is C20H22Cl2N6O.
What is the molecular weight of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide?
The molecular weight of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide is 432.1232 g/mol.
Where can I buy (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide?
You can request a quote for (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide?
Yes, CoreyChem provides custom synthesis services for (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,5-dichloro-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.