F0836-0020
TL;DR: F0836-0020 (CAS 399002-18-7) is a chemical compound with molecular formula C19H18F3N3OS and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-N-[4-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0020, 6-oxo-N-[4-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, 8-oxo-N-(4-(trifluoromethyl)phenyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide, 6-oxo-N-[4-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
| Molecular Formula | C19H18F3N3OS |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.6832 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.11227 |
| Heavy Atoms | 27 |
| Complexity | 923.0325 |
Chemical Identifiers
| CAS Number | 399002-18-7 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC4=CC=C(C=C4)C(F)(F)F |
Product Overview
F0836-0020 (CAS 399002-18-7), with molecular formula C19H18F3N3OS and molecular weight 393.11 g/mol. IUPAC: 6-oxo-N-[4-(trifluoromethyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0020
Property Insights of F0836-0020
The XLogP value of 3.6832 indicates that F0836-0020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.27 Ų, F0836-0020 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0836-0020 has 1 hydrogen bond donor(s) and 2 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 F0836-0020?
The CAS number of F0836-0020 is 399002-18-7.
What is the molecular formula of F0836-0020?
The molecular formula of F0836-0020 is C19H18F3N3OS.
What is the molecular weight of F0836-0020?
The molecular weight of F0836-0020 is 393.11 g/mol.
Where can I buy F0836-0020?
You can request a quote for F0836-0020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0020?
Yes, KEHONG BIO provides custom synthesis services for F0836-0020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.