2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
TL;DR: 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (CAS 6926-83-6) is a chemical compound with molecular formula C21H21BrN4S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-Amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C21H21BrN4S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 5.37644 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.06702 |
| Heavy Atoms | 27 |
| Complexity | 944.0202 |
Chemical Identifiers
| CAS Number | 6926-83-6 |
|---|---|
| SMILES | CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CS3)Br |
Product Overview
2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (CAS 6926-83-6), with molecular formula C21H21BrN4S and molecular weight 440.07 g/mol. IUPAC: 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Property Insights of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
The XLogP value of 5.37644 indicates that 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-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 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The CAS number of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is 6926-83-6.
What is the molecular formula of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The molecular formula of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is C21H21BrN4S.
What is the molecular weight of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The molecular weight of 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is 440.07 g/mol.
Where can I buy 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
You can request a quote for 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-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 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-bromothiophen-2-yl)-6-tert-butyl-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.