![5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile structure](/static/products/100/1003989-25-0.png)
5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 1003989-25-0) is a chemical compound with molecular formula C15H14N6O2S and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)pyrazole-4-carbonitrile
Also Known As: 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile, 5-amino-1-(4-hydroxy-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C15H14N6O2S |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 1.47548 |
| Topological Polar Surface Area | 122.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.0899 |
| Heavy Atoms | 24 |
| Complexity | 1068.2397 |
Chemical Identifiers
| CAS Number | 1003989-25-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)N4C(=C(C=N4)C#N)N)C |
Product Overview
5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile (CAS 1003989-25-0), with molecular formula C15H14N6O2S and molecular weight 342.09 g/mol. IUPAC: 5-amino-1-(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.47548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile. The TPSA of 122.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile has 2 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 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile is 1003989-25-0.
What is the molecular formula of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile is C15H14N6O2S.
What is the molecular weight of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile is 342.09 g/mol.
Where can I buy 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.