![6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/400/400754-70-3.png)
6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 400754-70-3) is a chemical compound with molecular formula C11H14N4OS and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diamino-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6,7-diamino-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7-trihydro-1H-pyrano[3,4-c]pyridine-5-ca rbonitrile
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.23657 |
| Topological Polar Surface Area | 89.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 582.6049 |
Chemical Identifiers
| CAS Number | 400754-70-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=S)N(C(=C2C#N)N)N)C |
Product Overview
6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 400754-70-3), with molecular formula C11H14N4OS and molecular weight 250.09 g/mol. IUPAC: 6,7-diamino-3,3-dimethyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 1.23657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. The TPSA of 89.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 2 hydrogen bond donor(s) and 5 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 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 400754-70-3.
What is the molecular formula of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C11H14N4OS.
What is the molecular weight of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 250.09 g/mol.
Where can I buy 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6,7-diamino-3,3-dimethyl-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 6,7-diamino-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6,7-diamino-3,3-dimethyl-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.