![6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/799/799817-70-2.png)
6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 799817-70-2) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-methyl-3-propan-2-yl-8-sulfanylidene-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-amino-7-methyl-3-propan-2-yl-8-sulfanylidene-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-amino-3-isopropyl-7-methyl-8-thioxo-1,2,7,8-tetrahydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile, 6-azanyl-7-methyl-3-propan-2-yl-8-sulfanylidene-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 799817-70-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)C(=S)N(C(=C2C#N)N)C |
| InChIKey | POGMJOBNLOMCME-UHFFFAOYSA-N |
Product Overview
6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 799817-70-2), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 6-amino-7-methyl-3-propan-2-yl-8-sulfanylidene-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 799817-70-2.
What is the molecular formula of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C13H17N3OS.
What is the molecular weight of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 263.11 g/mol.
Where can I buy 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3-isopropyl-7-methyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.