![4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](/static/products/848/848729-35-1.png)
4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 848729-35-1) is a chemical compound with molecular formula C25H30N4O3 and molecular weight 434.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (E)-4-(4-methoxyphenyl)-7,7-dimethyl-2-(((4-methylpiperazin-1-yl)methylene)amino)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methyl-1-piperazinyl)methylideneamino]-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-yl)methylideneamino]-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-2-[(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
| Molecular Formula | C25H30N4O3 |
|---|---|
| Molecular Weight | 434.23 g/mol |
| LogP | 3.46308 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.23178 |
| Heavy Atoms | 32 |
| Complexity | 1022.2619 |
Chemical Identifiers
| CAS Number | 848729-35-1 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)/N=C/N3CCN(CC3)C)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C |
Product Overview
4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 848729-35-1), with molecular formula C25H30N4O3 and molecular weight 434.23 g/mol. IUPAC: 4-(4-methoxyphenyl)-7,7-dimethyl-2-[(E)-(4-methylpiperazin-1-yl)methylideneamino]-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 3.46308 indicates that 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 0 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 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 848729-35-1.
What is the molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C25H30N4O3.
What is the molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 434.23 g/mol.
Where can I buy 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[(E)-(4-methylpiperazin-1-yl)methylidene]amino}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.