F0836-0017
TL;DR: F0836-0017 (CAS 864923-45-5) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0017, N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, N-(4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide, N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide, N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.673 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 846.49286 |
Chemical Identifiers
| CAS Number | 864923-45-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
F0836-0017 (CAS 864923-45-5), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0017
Property Insights of F0836-0017
The XLogP value of 2.673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0836-0017. With a topological polar surface area (TPSA) of 46.5 Ų, F0836-0017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0836-0017 has 1 hydrogen bond donor(s) and 3 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 F0836-0017?
The CAS number of F0836-0017 is 864923-45-5.
What is the molecular formula of F0836-0017?
The molecular formula of F0836-0017 is C19H21N3O2S.
What is the molecular weight of F0836-0017?
The molecular weight of F0836-0017 is 355.14 g/mol.
Where can I buy F0836-0017?
You can request a quote for F0836-0017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0017?
Yes, KEHONG BIO provides custom synthesis services for F0836-0017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.