![6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile structure](/static/products/2946/294634-98-3.webp)
6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
TL;DR: 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CAS 294634-98-3) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-6-amino-3-tert-butyl-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, (4S)-6-amino-3-tert-butyl-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A1680/0071702, (4S)-6-amino-3-(tert-butyl)-4-(2-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbo nitrile, (4S)-6-amino-3-tert-butyl-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C17H17N5O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.13315 |
| Heavy Atoms | 25 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 294634-98-3 |
|---|---|
| SMILES | CC(C)(C)C1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | LMVLTKOYCJFJGR-LBPRGKRZSA-N |
Product Overview
6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CAS 294634-98-3), with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol. IUPAC: (4S)-6-amino-3-tert-butyl-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Property Insights of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
The XLogP value of 3.5 indicates that 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile. Following Lipinski's Rule of Five, 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has 2 hydrogen bond donor(s) and 6 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-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The CAS number of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is 294634-98-3.
What is the molecular formula of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The molecular formula of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is C17H17N5O3.
What is the molecular weight of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The molecular weight of 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is 339.13 g/mol.
Where can I buy 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
You can request a quote for 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-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-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3-tert-butyl-4-{2-nitrophenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.