F0836-0021
TL;DR: F0836-0021 (CAS 399002-22-3) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0021, N-(4-nitrophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide, N-(4-nitrophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide, N-(4-nitrophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 2.5726 |
| Topological Polar Surface Area | 80.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 924.7786 |
Chemical Identifiers
| CAS Number | 399002-22-3 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0836-0021 (CAS 399002-22-3), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: N-(4-nitrophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0021
Property Insights of F0836-0021
The XLogP value of 2.5726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0836-0021. The TPSA of 80.41 Ų falls within the moderate polarity range, balancing permeability and solubility for F0836-0021. Following Lipinski's Rule of Five, F0836-0021 has 1 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 F0836-0021?
The CAS number of F0836-0021 is 399002-22-3.
What is the molecular formula of F0836-0021?
The molecular formula of F0836-0021 is C18H18N4O3S.
What is the molecular weight of F0836-0021?
The molecular weight of F0836-0021 is 370.11 g/mol.
Where can I buy F0836-0021?
You can request a quote for F0836-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0021?
Yes, KEHONG BIO provides custom synthesis services for F0836-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.