2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
TL;DR: 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 302802-16-0) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
Also Known As: 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 302802-16-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N |
| InChIKey | DFKOPXRKBDNAIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 302802-16-0), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
Property Insights of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile has 2 hydrogen bond donor(s) and 7 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 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The CAS number of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is 302802-16-0.
What is the molecular formula of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The molecular formula of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is C19H19N3O4.
What is the molecular weight of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The molecular weight of 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is 353.14 g/mol.
Where can I buy 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
You can request a quote for 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-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 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.