![3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide structure](/static/products/5855/585514-99-4.webp)
3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide
TL;DR: 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide (CAS 585514-99-4) is a chemical compound with molecular formula C10H16N4S and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine-1-carbothioamide
Also Known As: 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide, pyrazolo[3,4-b]azepine-1(4h)-carbothioamide, 3-ethyl-5,6,7,8-tetrahydro-, 10-ethyl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide, 3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide, Pyrazolo[3,4-b]azepine-1 -carbothioamide,3-ethyl-5,6,7,8-tetrahydro-
| Molecular Formula | C10H16N4S |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 1.2854 |
| Topological Polar Surface Area | 55.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.10957 |
| Heavy Atoms | 15 |
| Complexity | 383.01926 |
Chemical Identifiers
| CAS Number | 585514-99-4 |
|---|---|
| SMILES | CCC1=NN(C2=C1CCCCN2)C(=S)N |
Product Overview
3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide (CAS 585514-99-4), with molecular formula C10H16N4S and molecular weight 224.11 g/mol. IUPAC: 3-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine-1-carbothioamide.
Chemical Property Profile of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide
Property Insights of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide
The XLogP value of 1.2854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide. With a topological polar surface area (TPSA) of 55.87 Ų, 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide has 2 hydrogen bond donor(s) and 3 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 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide?
The CAS number of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide is 585514-99-4.
What is the molecular formula of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide?
The molecular formula of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide is C10H16N4S.
What is the molecular weight of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide?
The molecular weight of 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide is 224.11 g/mol.
Where can I buy 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide?
You can request a quote for 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]azepine-1(4H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.