(E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile
TL;DR: (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile (CAS 1192741-82-4) is a chemical compound with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-formyl-5-methyl-2-[(E)-4-propan-2-yloxybut-3-en-2-yl]cyclopent-3-ene-1,1,2-tricarbonitrile
Also Known As: (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-4-formyl-5-methyl-2-(4-propan-2-yloxybut-3-en-2-yl)cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-4-formyl-5-methyl-2-[(3E)-4-(propan-2-yloxy)but-3-en-2-yl]cyclopent-3-ene-1,1,2-tricarbonitrile, 3-amino-4-formyl-5-methyl-2-[(E)-4-propan-2-yloxybut-3-en-2-yl]cyclopent-3-ene-1,1,2-tricarbonitrile
| Molecular Formula | C17H20N4O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.16614 |
| Topological Polar Surface Area | 123.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.15863 |
| Heavy Atoms | 23 |
| Complexity | 658.1776 |
Chemical Identifiers
| CAS Number | 1192741-82-4 |
|---|---|
| SMILES | CC1C(=C(C(C1(C#N)C#N)(C#N)C(C)/C=C/OC(C)C)N)C=O |
Product Overview
(E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile (CAS 1192741-82-4), with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol. IUPAC: 3-amino-4-formyl-5-methyl-2-[(E)-4-propan-2-yloxybut-3-en-2-yl]cyclopent-3-ene-1,1,2-tricarbonitrile.
Chemical Property Profile of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile
Property Insights of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile
The XLogP value of 2.16614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile. The TPSA of 123.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-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 (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile?
The CAS number of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile is 1192741-82-4.
What is the molecular formula of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile?
The molecular formula of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile is C17H20N4O2.
What is the molecular weight of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile?
The molecular weight of (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile is 312.16 g/mol.
Where can I buy (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile?
You can request a quote for (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-amino-4-formyl-2-(4-isopropoxybut-3-en-2-yl)-5-methylcyclopent-3-ene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.