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3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
TL;DR: 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 130715-44-5) is a chemical compound with molecular formula C22H18N2O3 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
Also Known As: BAS 00758969, 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile, 3-Amino-1-(3,4-dimethoxy-phenyl)-1H-benzo[f]chromene-2-carbonitrile, A1737/0073808
| Molecular Formula | C22H18N2O3 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.07518 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.13174 |
| Heavy Atoms | 27 |
| Complexity | 1112.2312 |
Chemical Identifiers
| CAS Number | 130715-44-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N)OC |
Product Overview
3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 130715-44-5), with molecular formula C22H18N2O3 and molecular weight 358.13 g/mol. IUPAC: 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile.
Chemical Property Profile of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
Property Insights of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
The XLogP value of 4.07518 indicates that 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile. Following Lipinski's Rule of Five, 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile has 1 hydrogen bond donor(s) and 5 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 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile?
The CAS number of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile is 130715-44-5.
What is the molecular formula of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular formula of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile is C22H18N2O3.
What is the molecular weight of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular weight of 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile is 358.13 g/mol.
Where can I buy 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile?
You can request a quote for 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-(3,4-dimethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.