F0836-0022
TL;DR: F0836-0022 (CAS 399002-25-6) is a chemical compound with molecular formula C19H20ClN3OS and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0022, N-(3-chloro-2-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, N-(3-chloro-2-methylphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide, N-(3-CHLORO-2-METHYLPHENYL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOTHIOAMIDE, N-(3-chloro-2-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
| Molecular Formula | C19H20ClN3OS |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.62622 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.10156 |
| Heavy Atoms | 25 |
| Complexity | 894.4782 |
Chemical Identifiers
| CAS Number | 399002-25-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
F0836-0022 (CAS 399002-25-6), with molecular formula C19H20ClN3OS and molecular weight 373.10 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0022
Property Insights of F0836-0022
The XLogP value of 3.62622 indicates that F0836-0022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.27 Ų, F0836-0022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0836-0022 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 F0836-0022?
The CAS number of F0836-0022 is 399002-25-6.
What is the molecular formula of F0836-0022?
The molecular formula of F0836-0022 is C19H20ClN3OS.
What is the molecular weight of F0836-0022?
The molecular weight of F0836-0022 is 373.10 g/mol.
Where can I buy F0836-0022?
You can request a quote for F0836-0022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0022?
Yes, KEHONG BIO provides custom synthesis services for F0836-0022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.