![2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile structure](/static/products/732/732255-86-6.png)
2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
TL;DR: 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CAS 732255-86-6) is a chemical compound with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-6-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-AMINO-6-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-7-METHYL-5-OXO-4-(THIOPHEN-2-YL)-4H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE, 2-AMINO-6-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-7-METHYL-5-OXO-4-(THIOPHEN-2-YL)-4H,5H,6H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C22H17N3O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 3.2134 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.09396 |
| Heavy Atoms | 30 |
| Complexity | 1284.942 |
Chemical Identifiers
| CAS Number | 732255-86-6 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)N1CC4=CC5=C(C=C4)OCO5 |
Product Overview
2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CAS 732255-86-6), with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol. IUPAC: 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Property Insights of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
The XLogP value of 3.2134 indicates that 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-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-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The CAS number of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is 732255-86-6.
What is the molecular formula of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The molecular formula of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is C22H17N3O4S.
What is the molecular weight of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The molecular weight of 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is 419.09 g/mol.
Where can I buy 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
You can request a quote for 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-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-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.