F0836-0014
TL;DR: F0836-0014 (CAS 864923-44-4) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0014, N-(4-bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, N-(4-bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide, N-(4-bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide, N-(4-BROMOPHENYL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOTHIOAMIDE
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.4269 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 832.90265 |
Chemical Identifiers
| CAS Number | 864923-44-4 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC4=CC=C(C=C4)Br |
Product Overview
F0836-0014 (CAS 864923-44-4), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: N-(4-bromophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0014
Property Insights of F0836-0014
The XLogP value of 3.4269 indicates that F0836-0014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.27 Ų, F0836-0014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0836-0014 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 F0836-0014?
The CAS number of F0836-0014 is 864923-44-4.
What is the molecular formula of F0836-0014?
The molecular formula of F0836-0014 is C18H18BrN3OS.
What is the molecular weight of F0836-0014?
The molecular weight of F0836-0014 is 403.04 g/mol.
Where can I buy F0836-0014?
You can request a quote for F0836-0014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0014?
Yes, KEHONG BIO provides custom synthesis services for F0836-0014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.