2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile
TL;DR: 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile (CAS 30404-08-1) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-6,8-dihydrochromene-3,4,4-tricarbonitrile
Also Known As: 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile, 2-amino-7,7-dimethyl-5-oxo-6,8-dihydrochromene-3,4,4-tricarbonitrile, J2.572.164K, 3P-709, A2353/0099392
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 30404-08-1 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=C(O2)N)C#N)(C#N)C#N)C |
| InChIKey | GJZDFWFEGWLQRT-UHFFFAOYSA-N |
Product Overview
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile (CAS 30404-08-1), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-6,8-dihydrochromene-3,4,4-tricarbonitrile.
Chemical Property Profile of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile
Property Insights of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-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 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile?
The CAS number of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile is 30404-08-1.
What is the molecular formula of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile?
The molecular formula of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile is C14H12N4O2.
What is the molecular weight of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile?
The molecular weight of 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile is 268.10 g/mol.
Where can I buy 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile?
You can request a quote for 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-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-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3,4,4-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.