(3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,4-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 (3,4-dichloro-phenyl)-amide (CAS 1212092-27-7) is a chemical compound with molecular formula C20H22Cl2N6O and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-N-(3,4-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 (3,4-dichloro-phenyl)-amide, (3aR,7aR)-N-(3,4-dichlorophenyl)-2-((4,6-dimethylpyrimidin-2-yl)amino)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole-1-carboxamide, (3aR,7aR)-N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxamide
| Molecular Formula | C20H22Cl2N6O |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 5.02704 |
| Topological Polar Surface Area | 82.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.1232 |
| Heavy Atoms | 29 |
| Complexity | 959.18896 |
Chemical Identifiers
| CAS Number | 1212092-27-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=N[C@@H]3CCCC[C@H]3N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)C |
Product Overview
(3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide (CAS 1212092-27-7), with molecular formula C20H22Cl2N6O and molecular weight 432.12 g/mol. IUPAC: (3aR,7aR)-N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxamide.
Chemical Property Profile of (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,4-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 (3,4-dichloro-phenyl)-amide
The XLogP value of 5.02704 indicates that (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.51 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 (3,4-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 (3,4-dichloro-phenyl)-amide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 (3,4-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 (3,4-dichloro-phenyl)-amide is 1212092-27-7.
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 (3,4-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 (3,4-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 (3,4-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 (3,4-dichloro-phenyl)-amide is 432.12 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 (3,4-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 (3,4-dichloro-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,7aR)-2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3a,4,5,6,7,7a-hexahydro-benzoimidazole-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
Yes, KEHONG BIO 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 (3,4-dichloro-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.