![6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile structure](/static/products/3306/330645-45-9.webp)
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
TL;DR: 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile (CAS 330645-45-9) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Also Known As: J2.761.849I, AM-807/14144011, 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile, 6-amino-3-methylspiro[4H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile, A3451/0146573
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 330645-45-9 |
|---|---|
| SMILES | CC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N |
| InChIKey | QEKHDXCAENVULX-UHFFFAOYSA-N |
Product Overview
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile (CAS 330645-45-9), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile.
Chemical Property Profile of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
Property Insights of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile. Following Lipinski's Rule of Five, 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-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-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile?
The CAS number of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile is 330645-45-9.
What is the molecular formula of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile?
The molecular formula of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile is C12H14N4OS.
What is the molecular weight of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile?
The molecular weight of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile is 262.09 g/mol.
Where can I buy 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile?
You can request a quote for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-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-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.