![2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile structure](/static/products/4450/445031-76-5.webp)
2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
TL;DR: 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 445031-76-5) is a chemical compound with molecular formula C21H17BrN2O4 and molecular weight 440.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-AMINO-4-{5-[(4-BROMOPHENOXY)METHYL]-2-FURYL}-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE, 2-amino-4-{5-[(4-bromophenoxy)methyl]-2-furyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C21H17BrN2O4 |
|---|---|
| Molecular Weight | 440.04 g/mol |
| LogP | 4.43588 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.03717 |
| Heavy Atoms | 28 |
| Complexity | 1027.4202 |
Chemical Identifiers
| CAS Number | 445031-76-5 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)C1 |
Product Overview
2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 445031-76-5), with molecular formula C21H17BrN2O4 and molecular weight 440.04 g/mol. IUPAC: 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Property Insights of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
The XLogP value of 4.43588 indicates that 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 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-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The CAS number of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is 445031-76-5.
What is the molecular formula of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular formula of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is C21H17BrN2O4.
What is the molecular weight of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular weight of 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is 440.04 g/mol.
Where can I buy 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
You can request a quote for 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-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-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.