![2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile structure](/static/products/877/877778-65-9.png)
2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
TL;DR: 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile (CAS 877778-65-9) is a chemical compound with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-amino-11-(1,3-benzodioxol-5-yl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
Also Known As: 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile, 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-8,10-dimethyl-7-oxo-4,7-dihydrofuro[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
| Molecular Formula | C22H16N2O5 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 3.35672 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.10593 |
| Heavy Atoms | 29 |
| Complexity | 1329.7528 |
Chemical Identifiers
| CAS Number | 877778-65-9 |
|---|---|
| SMILES | CC1=C2C(=O)C=CC3=C(C2=C(O1)C)OC(=C(C3C4=CC5=C(C=C4)OCO5)C#N)N |
Product Overview
2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile (CAS 877778-65-9), with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol. IUPAC: 13-amino-11-(1,3-benzodioxol-5-yl)-3,5-dimethyl-7-oxo-4,14-dioxatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile.
Chemical Property Profile of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
Property Insights of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile
The XLogP value of 3.35672 indicates that 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-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-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile?
The CAS number of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile is 877778-65-9.
What is the molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile is C22H16N2O5.
What is the molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile is 388.11 g/mol.
Where can I buy 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile?
You can request a quote for 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-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-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(1,3-benzodioxol-5-yl)-8,10-dimethyl-7-oxo-4H,7H-furo[3',4':6,7]cyclohepta[1,2-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.