(4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
TL;DR: (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (CAS 484642-77-5) is a chemical compound with molecular formula C19H14Cl2N4 and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C19H14Cl2N4 |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 4.58704 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.05954 |
| Heavy Atoms | 25 |
| Complexity | 910.2132 |
Chemical Identifiers
| CAS Number | 484642-77-5 |
|---|---|
| SMILES | C1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
(4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (CAS 484642-77-5), with molecular formula C19H14Cl2N4 and molecular weight 368.06 g/mol. IUPAC: (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Property Insights of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
The XLogP value of 4.58704 indicates that (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile. Following Lipinski's Rule of Five, (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile has 1 hydrogen bond donor(s) and 4 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 (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The CAS number of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is 484642-77-5.
What is the molecular formula of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The molecular formula of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is C19H14Cl2N4.
What is the molecular weight of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The molecular weight of (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is 368.06 g/mol.
Where can I buy (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
You can request a quote for (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4S,4aS)-2-amino-4-(2,4-dichlorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.