ChemDiv1_017913
TL;DR: ChemDiv1_017913 (CAS 328282-09-3) is a chemical compound with molecular formula C22H20N6O and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-2-oxo-2'-propan-2-ylspiro[1H-indole-3,8'-3,4-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
Also Known As: ChemDiv1_017913, A0441/0020379, 6'-amino-2'-isopropyl-2-oxo-3',4'-dihydro-1'H-spiro[indoline-3,8'-isoquinoline]-5',7',7'(2'H)-tricarbonitrile, 6'-amino-2-oxo-2'-(propan-2-yl)-1,1',2,2',3',4'-hexahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile, 6'-AMINO-2-OXO-2'-(PROPAN-2-YL)-1,2,2',3',4',7'-HEXAHYDRO-1'H-SPIRO[INDOLE-3,8'-ISOQUINOLINE]-5',7',7'-TRICARBONITRILE
| Molecular Formula | C22H20N6O |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 2.07074 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.16986 |
| Heavy Atoms | 29 |
| Complexity | 1109.1823 |
Chemical Identifiers
| CAS Number | 328282-09-3 |
|---|---|
| SMILES | CC(C)N1CCC2=C(C1)C3(C4=CC=CC=C4NC3=O)C(C(=C2C#N)N)(C#N)C#N |
Product Overview
ChemDiv1_017913 (CAS 328282-09-3), with molecular formula C22H20N6O and molecular weight 384.17 g/mol. IUPAC: 6'-amino-2-oxo-2'-propan-2-ylspiro[1H-indole-3,8'-3,4-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile.
Chemical Property Profile of ChemDiv1_017913
Property Insights of ChemDiv1_017913
The XLogP value of 2.07074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017913. The TPSA of 129.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017913. Following Lipinski's Rule of Five, ChemDiv1_017913 has 2 hydrogen bond donor(s) and 6 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_017913?
The CAS number of ChemDiv1_017913 is 328282-09-3.
What is the molecular formula of ChemDiv1_017913?
The molecular formula of ChemDiv1_017913 is C22H20N6O.
What is the molecular weight of ChemDiv1_017913?
The molecular weight of ChemDiv1_017913 is 384.17 g/mol.
Where can I buy ChemDiv1_017913?
You can request a quote for ChemDiv1_017913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017913?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.