![2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile structure](/static/products/459/459784-03-3.png)
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
TL;DR: 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 459784-03-3) is a chemical compound with molecular formula C24H21N7O3 and molecular weight 455.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-AMINO-3,3-DICYANO-4-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-4A,5,6,7-TETRAHYDRO-1(4H)-NAPHTHALENYL CYANIDE, 2-amino-4-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C24H21N7O3 |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 3.44184 |
| Topological Polar Surface Area | 167.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1706 |
| Heavy Atoms | 34 |
| Complexity | 1335.7618 |
Chemical Identifiers
| CAS Number | 459784-03-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)CN4C=C(C=N4)[N+](=O)[O-] |
Product Overview
2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 459784-03-3), with molecular formula C24H21N7O3 and molecular weight 455.17 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
Property Insights of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
The XLogP value of 3.44184 indicates that 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.58 Ų indicates high polarity, suggesting 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile has 1 hydrogen bond donor(s) and 8 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 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The CAS number of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 459784-03-3.
What is the molecular formula of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular formula of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is C24H21N7O3.
What is the molecular weight of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular weight of 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 455.17 g/mol.
Where can I buy 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
You can request a quote for 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.