![(3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile structure](/static/products/1217/1217618-95-5.webp)
(3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile
TL;DR: (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile (CAS 1217618-95-5) is a chemical compound with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-6-amino-3-ethyl-3-methyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile
Also Known As: (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile, (3R)-6-amino-3-ethyl-3-methyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile, (3R)-6-Amino-3-ethyl-3-methyl-8-sulfanylidene-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile, (3R)-6-Amino-3-ethyl-4,8-dihydro-3-methyl-8-thioxo-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile
| Molecular Formula | C12H14N2OS2 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.05475 |
| Heavy Atoms | 17 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 1217618-95-5 |
|---|---|
| SMILES | CC[C@@]1(CC2=C(CO1)C(=S)SC(=C2C#N)N)C |
| InChIKey | DWOZBVPZDFQNFG-GFCCVEGCSA-N |
Product Overview
(3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile (CAS 1217618-95-5), with molecular formula C12H14N2OS2 and molecular weight 266.05 g/mol. IUPAC: (3R)-6-amino-3-ethyl-3-methyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile.
Chemical Property Profile of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile
Property Insights of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile. Following Lipinski's Rule of Five, (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile has 1 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 (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile?
The CAS number of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile is 1217618-95-5.
What is the molecular formula of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile?
The molecular formula of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile is C12H14N2OS2.
What is the molecular weight of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile?
The molecular weight of (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile is 266.05 g/mol.
Where can I buy (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile?
You can request a quote for (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.