![10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide structure](/static/products/5855/585515-91-9.webp)
10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide
TL;DR: 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide (CAS 585515-91-9) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carbothioamide
Also Known As: 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide, 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide, PYRAZOLO[3,4-B]AZEPINE-1(4H)-CARBOTHIOAMIDE, 3-(2-BENZOFURANYL)-5,6,7,8-TETRAHYDRO-, Pyrazolo[3,4-b]azepine-1(4H)-carbothioamide, 3-(2-benzofuranyl)-5,6,7,8-tetrahydro- (9CI)
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.1362 |
| Topological Polar Surface Area | 69.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 831.2833 |
Chemical Identifiers
| CAS Number | 585515-91-9 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C(=S)N)C3=CC4=CC=CC=C4O3 |
Product Overview
10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide (CAS 585515-91-9), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine-1-carbothioamide.
Chemical Property Profile of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide
Property Insights of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide
The XLogP value of 3.1362 indicates that 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide. Following Lipinski's Rule of Five, 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide has 2 hydrogen bond donor(s) and 4 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 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide?
The CAS number of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide is 585515-91-9.
What is the molecular formula of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide?
The molecular formula of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide is C16H16N4OS.
What is the molecular weight of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide?
The molecular weight of 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide is 312.10 g/mol.
Where can I buy 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide?
You can request a quote for 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene-8-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.