ChemDiv3_004085
TL;DR: ChemDiv3_004085 (CAS 370871-41-3) 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'-propylspiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile
Also Known As: ChemDiv3_004085, IDI1_021995, BRD-A70124326-001-01-5, 6'-amino-2-oxo-2'-propyl-1,1',2,2',3',8a'-hexahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile, 6'-amino-2-oxo-2'-propyl-2',3'-dihydro-1'H-spiro[indoline-3,8'-isoquinoline]-5',7',7'(8a'H)-tricarbonitrile
| Molecular Formula | C22H20N6O |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 1.92824 |
| Topological Polar Surface Area | 129.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.16986 |
| Heavy Atoms | 29 |
| Complexity | 1081.5249 |
Chemical Identifiers
| CAS Number | 370871-41-3 |
|---|---|
| SMILES | CCCN1CC=C2C(C1)C3(C4=CC=CC=C4NC3=O)C(C(=C2C#N)N)(C#N)C#N |
Product Overview
ChemDiv3_004085 (CAS 370871-41-3), with molecular formula C22H20N6O and molecular weight 384.17 g/mol. IUPAC: 6'-amino-2-oxo-2'-propylspiro[1H-indole-3,8'-3,8a-dihydro-1H-isoquinoline]-5',7',7'-tricarbonitrile.
Chemical Property Profile of ChemDiv3_004085
Property Insights of ChemDiv3_004085
The XLogP value of 1.92824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004085. The TPSA of 129.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004085. Following Lipinski's Rule of Five, ChemDiv3_004085 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 ChemDiv3_004085?
The CAS number of ChemDiv3_004085 is 370871-41-3.
What is the molecular formula of ChemDiv3_004085?
The molecular formula of ChemDiv3_004085 is C22H20N6O.
What is the molecular weight of ChemDiv3_004085?
The molecular weight of ChemDiv3_004085 is 384.17 g/mol.
Where can I buy ChemDiv3_004085?
You can request a quote for ChemDiv3_004085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004085?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.