ChemDiv1_027242
TL;DR: ChemDiv1_027242 (CAS 132664-67-6) is a chemical compound with molecular formula C21H15ClN4O and molecular weight 374.09344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,10bS)-2-(4-chlorophenyl)-1,1-dicyano-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide
Also Known As: (2R,3R,10bS)-2-(4-chlorophenyl)-1,1-dicyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide, (2R,3R,10bS)-2-(4-chlorophenyl)-1,1-dicyano-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C21H15ClN4O |
| Molecular Weight | 374.09344 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.09344 Da |
| Heavy Atoms | 27 |
| Complexity | 722.0 |
| SMILES | C1=CC=C2[C@H]3C([C@H]([C@@H](N3C=CC2=C1)C(=O)N)C4=CC=C(C=C4)Cl)(C#N)C#N |
| InChIKey | DHEJAQLOPUNKRK-OTWHNJEPSA-N |
Chemical Property Profile of ChemDiv1_027242
Property Insights of ChemDiv1_027242
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027242. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027242. Following Lipinski's Rule of Five, ChemDiv1_027242 has 1 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 ChemDiv1_027242?
The CAS number of ChemDiv1_027242 is 132664-67-6.
What is the molecular formula of ChemDiv1_027242?
The molecular formula of ChemDiv1_027242 is C21H15ClN4O.
What is the molecular weight of ChemDiv1_027242?
The molecular weight of ChemDiv1_027242 is 374.09344 g/mol.
Where can I buy ChemDiv1_027242?
You can request a quote for ChemDiv1_027242 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_027242?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_027242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.