F1831-0058
TL;DR: F1831-0058 (CAS 868965-80-4) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-oxochromene-2-carboxamide
Also Known As: F1831-0058, N-(3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-oxo-4H-chromene-2-carboxamide, N-[3-(methylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-4-oxo-4H-chromene-2-carboxamide, N-[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-oxochromene-2-carboxamide
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.7353 |
| Topological Polar Surface Area | 88.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1129.1262 |
Chemical Identifiers
| CAS Number | 868965-80-4 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3 |
Product Overview
F1831-0058 (CAS 868965-80-4), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: N-[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-oxochromene-2-carboxamide.
Chemical Property Profile of F1831-0058
Property Insights of F1831-0058
The XLogP value of 3.7353 indicates that F1831-0058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.41 Ų falls within the moderate polarity range, balancing permeability and solubility for F1831-0058. Following Lipinski's Rule of Five, F1831-0058 has 2 hydrogen bond donor(s) and 5 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 F1831-0058?
The CAS number of F1831-0058 is 868965-80-4.
What is the molecular formula of F1831-0058?
The molecular formula of F1831-0058 is C21H20N2O4S.
What is the molecular weight of F1831-0058?
The molecular weight of F1831-0058 is 396.11 g/mol.
Where can I buy F1831-0058?
You can request a quote for F1831-0058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1831-0058?
Yes, KEHONG BIO provides custom synthesis services for F1831-0058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.