![5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile structure](/static/products/882/882152-54-7.png)
5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
TL;DR: 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile (CAS 882152-54-7) is a chemical compound with molecular formula C14H9N5O2S and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
Also Known As: 5-amino-1-[4-(1,3-dioxaindan-5-yl)-1,3-thiazol-2-yl]-1H-pyrazole-4-carbonitrile, 5-amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
| Molecular Formula | C14H9N5O2S |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 2.17838 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0477 |
| Heavy Atoms | 22 |
| Complexity | 908.34174 |
Chemical Identifiers
| CAS Number | 882152-54-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N4C(=C(C=N4)C#N)N |
Product Overview
5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile (CAS 882152-54-7), with molecular formula C14H9N5O2S and molecular weight 311.05 g/mol. IUPAC: 5-amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
Property Insights of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
The XLogP value of 2.17838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile has 1 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-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The CAS number of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile is 882152-54-7.
What is the molecular formula of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The molecular formula of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile is C14H9N5O2S.
What is the molecular weight of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
The molecular weight of 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile is 311.05 g/mol.
Where can I buy 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
You can request a quote for 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]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-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.