F0836-0027
TL;DR: F0836-0027 (CAS 399002-54-1) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: F0836-0027, N-(2,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbothioamide, N-(2,5-DIMETHOXYPHENYL)-6-OXO-7,11-DIAZATRICYCLO[7.3.1.0~2,7~]TRIDECA-2,4-DIENE-11-CARBOTHIOAMIDE, N-(2,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide, N-(2,5-dimethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 2.6816 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 926.9282 |
Chemical Identifiers
| CAS Number | 399002-54-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=S)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
F0836-0027 (CAS 399002-54-1), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide.
Chemical Property Profile of F0836-0027
Property Insights of F0836-0027
The XLogP value of 2.6816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0836-0027. With a topological polar surface area (TPSA) of 55.73 Ų, F0836-0027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0836-0027 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 F0836-0027?
The CAS number of F0836-0027 is 399002-54-1.
What is the molecular formula of F0836-0027?
The molecular formula of F0836-0027 is C20H23N3O3S.
What is the molecular weight of F0836-0027?
The molecular weight of F0836-0027 is 385.15 g/mol.
Where can I buy F0836-0027?
You can request a quote for F0836-0027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0836-0027?
Yes, KEHONG BIO provides custom synthesis services for F0836-0027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.