3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile
TL;DR: 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile (CAS 489404-86-6) is a chemical compound with molecular formula C19H15N5O2 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile
Also Known As: 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile, 3-amino-2-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-1,2,4-tricarbonitrile, 3-amino-2-{4-nitrophenyl}-1,2,6,7,8,8a-hexahydro-1,2,4-naphthalenetricarbonitrile, 2-AMINO-3,4-DICYANO-3-(4-NITROPHENYL)-3,4,4A,5,6,7-HEXAHYDRO-1-NAPHTHALENYL CYANIDE
| Molecular Formula | C19H15N5O2 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 2.97244 |
| Topological Polar Surface Area | 140.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.1226 |
| Heavy Atoms | 26 |
| Complexity | 955.6192 |
Chemical Identifiers
| CAS Number | 489404-86-6 |
|---|---|
| SMILES | C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile (CAS 489404-86-6), with molecular formula C19H15N5O2 and molecular weight 345.12 g/mol. IUPAC: 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile.
Chemical Property Profile of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile
Property Insights of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile
The XLogP value of 2.97244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile. The TPSA of 140.53 Ų indicates high polarity, suggesting 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile 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 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile?
The CAS number of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile is 489404-86-6.
What is the molecular formula of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile?
The molecular formula of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile is C19H15N5O2.
What is the molecular weight of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile?
The molecular weight of 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile is 345.12 g/mol.
Where can I buy 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile?
You can request a quote for 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-(4-nitrophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-1,2,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.