RefChem:305904
TL;DR: RefChem:305904 (CAS 626221-27-0) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile
Also Known As: 6'-amino-3'-ethyl-2-methyl-4,5-dihydro-2'H-spiro[furan-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-Amino-3'-ethyl-4,5-dihydro-2-methylspiro[furan-3(2H),4'(2'H)-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile, 6-amino-3-ethyl-11-methylspiro[4H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbon itrile, 6'-AMINO-3'-ETHYL-2-METHYL-2'H-SPIRO[OXOLANE-3,4'-PYRANO[2,3-C]PYRAZOLE]-5'-CARBONITRILE
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 626221-27-0 |
|---|---|
| SMILES | CCC1=C2C(=NN1)OC(=C(C23CCOC3C)C#N)N |
| InChIKey | CIUPEIIWGDUNAE-UHFFFAOYSA-N |
Product Overview
RefChem:305904 (CAS 626221-27-0), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: 6-amino-3-ethyl-2'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-oxolane]-5-carbonitrile.
Chemical Property Profile of RefChem:305904
Property Insights of RefChem:305904
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305904. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305904. Following Lipinski's Rule of Five, RefChem:305904 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 RefChem:305904?
The CAS number of RefChem:305904 is 626221-27-0.
What is the molecular formula of RefChem:305904?
The molecular formula of RefChem:305904 is C13H16N4O2.
What is the molecular weight of RefChem:305904?
The molecular weight of RefChem:305904 is 260.13 g/mol.
Where can I buy RefChem:305904?
You can request a quote for RefChem:305904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305904?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.