2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile (CAS 122520-91-6) is a chemical compound with molecular formula C14H10N4O3 and molecular weight 282.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-2-amino-4-(3,4-dihydroxy-5-methoxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: (3Z)-2-amino-4-(3,4-dihydroxy-5-methoxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile, 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile, (3Z)-2-amino-4-(3,4-dihydroxy-5-methoxy-phenyl)buta-1,3-diene-1,1,3-tricarbonitrile, (3Z)-2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile
Technical Specifications
| Molecular Formula | C14H10N4O3 |
| Molecular Weight | 282.0753 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0753 Da |
| Heavy Atoms | 21 |
| Complexity | 592.0 |
| SMILES | COC1=CC(=CC(=C1O)O)/C=C(\C#N)/C(=C(C#N)C#N)N |
| InChIKey | CFTKDBCVQAYOLY-XNWCZRBMSA-N |
Chemical Property Profile of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile is 122520-91-6.
What is the molecular formula of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile is C14H10N4O3.
What is the molecular weight of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile is 282.0753 g/mol.
Where can I buy 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.