ChemDiv1_027126
TL;DR: ChemDiv1_027126 (CAS 302942-01-4) is a chemical compound with molecular formula C21H15FN4O and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,10bS)-1,1-dicyano-2-(2-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide
Also Known As: ChemDiv1_027126, (2S,3R,10bS)-1,1-dicyano-2-(2-fluorophenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxamide, (2S,3R,10bS)-1,1-dicyano-2-(2-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide
| Molecular Formula | C21H15FN4O |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 2.83796 |
| Topological Polar Surface Area | 93.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.123 |
| Heavy Atoms | 27 |
| Complexity | 1034.6326 |
Chemical Identifiers
| CAS Number | 302942-01-4 |
|---|---|
| SMILES | C1=CC=C2[C@H]3C([C@H]([C@@H](N3C=CC2=C1)C(=O)N)C4=CC=CC=C4F)(C#N)C#N |
Product Overview
ChemDiv1_027126 (CAS 302942-01-4), with molecular formula C21H15FN4O and molecular weight 358.12 g/mol. IUPAC: (2S,3R,10bS)-1,1-dicyano-2-(2-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_027126
Property Insights of ChemDiv1_027126
The XLogP value of 2.83796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027126. The TPSA of 93.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027126. Following Lipinski's Rule of Five, ChemDiv1_027126 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
Frequently Asked Questions
What is the CAS number of ChemDiv1_027126?
The CAS number of ChemDiv1_027126 is 302942-01-4.
What is the molecular formula of ChemDiv1_027126?
The molecular formula of ChemDiv1_027126 is C21H15FN4O.
What is the molecular weight of ChemDiv1_027126?
The molecular weight of ChemDiv1_027126 is 358.12 g/mol.
Where can I buy ChemDiv1_027126?
You can request a quote for ChemDiv1_027126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.