ChemDiv2_002157
TL;DR: ChemDiv2_002157 (CAS 302777-13-5) is a chemical compound with molecular formula C20H22N6O2 and molecular weight 378.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',2-diacetyl-6-aminospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile
Also Known As: ChemDiv2_002157, A0565/0026110, 2,11-diacetyl-6-aminospiro[1,2,3,7,8,8a-hexahydroisoquinoline-8,4'-piperidine] -5,7,7-tricarbonitrile, 1',2-DIACETYL-6-AMINO-1,2,3,8A-TETRAHYDRO-7{H}-SPIRO[ISOQUINOLINE-8,4'-PIPERIDINE]-5,7,7-TRICARBONITRILE, 1',2-diacetyl-6-amino-1,2,3,8a-tetrahydro-7H-spiro[isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile
| Molecular Formula | C20H22N6O2 |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 0.80334 |
| Topological Polar Surface Area | 138.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.18042 |
| Heavy Atoms | 28 |
| Complexity | 903.81323 |
Chemical Identifiers
| CAS Number | 302777-13-5 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C |
Product Overview
ChemDiv2_002157 (CAS 302777-13-5), with molecular formula C20H22N6O2 and molecular weight 378.18 g/mol. IUPAC: 1',2-diacetyl-6-aminospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-5,7,7-tricarbonitrile.
Chemical Property Profile of ChemDiv2_002157
Property Insights of ChemDiv2_002157
The XLogP value of 0.80334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002157. The TPSA of 138.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002157. Following Lipinski's Rule of Five, ChemDiv2_002157 has 1 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 ChemDiv2_002157?
The CAS number of ChemDiv2_002157 is 302777-13-5.
What is the molecular formula of ChemDiv2_002157?
The molecular formula of ChemDiv2_002157 is C20H22N6O2.
What is the molecular weight of ChemDiv2_002157?
The molecular weight of ChemDiv2_002157 is 378.18 g/mol.
Where can I buy ChemDiv2_002157?
You can request a quote for ChemDiv2_002157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002157?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.