J2.821.091D
TL;DR: J2.821.091D (CAS 445223-06-3) is a chemical compound with molecular formula C21H17N5O and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1'-methyl-2'-oxospiro[4a,5,6,7-tetrahydronaphthalene-4,3'-indole]-1,3,3-tricarbonitrile
Also Known As: J2.821.091D, 2-amino-1'-methyl-2'-oxospiro[4a,5,6,7-tetrahydronaphthalene-4,3'-indole]-1,3,3-tricarbonitrile, 2-amino-1',3'-dihydro-1'-methyl-2'-oxo-4a,5,6,7-tetrahydro-1,3,3(4h)-tricyanospiro[naphthalene-4,3'-(2'H)-indole], 3'-AMINO-1-METHYL-2-OXO-1,2,6',7',8',8'A-HEXAHYDRO-2'H-SPIRO[INDOLE-3,1'-NAPHTHALENE]-2',2',4'-TRICARBONITRILE, 3'-amino-1-methyl-2-oxo-1,2,6',7',8',8a'-hexahydro-2'H-spiro[indole-3,1'-naphthalene]-2',2',4'-tricarbonitrile
| Molecular Formula | C21H17N5O |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.1433 |
| Heavy Atoms | 27 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 445223-06-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3(C1=O)C4CCCC=C4C(=C(C3(C#N)C#N)N)C#N |
| InChIKey | ZZDLIHXGIYUXEB-UHFFFAOYSA-N |
Product Overview
J2.821.091D (CAS 445223-06-3), with molecular formula C21H17N5O and molecular weight 355.14 g/mol. IUPAC: 2-amino-1'-methyl-2'-oxospiro[4a,5,6,7-tetrahydronaphthalene-4,3'-indole]-1,3,3-tricarbonitrile.
Chemical Property Profile of J2.821.091D
Property Insights of J2.821.091D
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.821.091D. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.821.091D. Following Lipinski's Rule of Five, J2.821.091D has 1 hydrogen bond donor(s) and 5 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 J2.821.091D?
The CAS number of J2.821.091D is 445223-06-3.
What is the molecular formula of J2.821.091D?
The molecular formula of J2.821.091D is C21H17N5O.
What is the molecular weight of J2.821.091D?
The molecular weight of J2.821.091D is 355.14 g/mol.
Where can I buy J2.821.091D?
You can request a quote for J2.821.091D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.821.091D?
Yes, KEHONG BIO provides custom synthesis services for J2.821.091D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.