2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
TL;DR: 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile (CAS 87499-61-4) is a chemical compound with molecular formula C19H12N2O5 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
Also Known As: BAS 01961944, 2-amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile, 2-Amino-4,5-bis-benzo[1,3]dioxol-5-yl-furan-3-carbonitrile, 3-Furancarbonitrile, 2-amino-4,5-bis(1,3-benzodioxol-5-yl)-, 2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-furonitrile
| Molecular Formula | C19H12N2O5 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.07462 |
| Heavy Atoms | 26 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 87499-61-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3C#N)N)C4=CC5=C(C=C4)OCO5 |
| InChIKey | NPIIJCBBXKKRLD-UHFFFAOYSA-N |
Product Overview
2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile (CAS 87499-61-4), with molecular formula C19H12N2O5 and molecular weight 348.07 g/mol. IUPAC: 2-amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile.
Chemical Property Profile of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
Property Insights of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
The XLogP value of 3.8 indicates that 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile has 1 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-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile?
The CAS number of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile is 87499-61-4.
What is the molecular formula of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile?
The molecular formula of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile is C19H12N2O5.
What is the molecular weight of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile?
The molecular weight of 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile is 348.07 g/mol.
Where can I buy 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile?
You can request a quote for 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-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-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.