2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile
TL;DR: 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 5271-24-9) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile
Also Known As: 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile, 2,7-Diamino-4-(3,4-dimethoxy-phenyl)-4H-chromene-3-carbonitrile, BAS 00758955, 2,7-Diamino-4-(3,4-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, Cambridge id 5271249
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.50418 |
| Topological Polar Surface Area | 103.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 868.2981 |
Chemical Identifiers
| CAS Number | 5271-24-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)OC |
Product Overview
2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile (CAS 5271-24-9), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile
Property Insights of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile
The XLogP value of 2.50418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile. The TPSA of 103.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile has 2 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 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile?
The CAS number of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile is 5271-24-9.
What is the molecular formula of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile?
The molecular formula of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile is C18H17N3O3.
What is the molecular weight of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile?
The molecular weight of 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile is 323.13 g/mol.
Where can I buy 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile?
You can request a quote for 2,7-diamino-4-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-diamino-4-(3,4-dimethoxyphenyl)-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.