F1831-0139
TL;DR: F1831-0139 (CAS 868965-85-9) is a chemical compound with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F1831-0139, 2-[3-(benzenesulfonyl)propanamido]-N-methyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-methyl-2-(3-(phenylsulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C20H24N2O4S2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.1791 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.11774 |
| Heavy Atoms | 28 |
| Complexity | 965.5919 |
Chemical Identifiers
| CAS Number | 868965-85-9 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 |
Product Overview
F1831-0139 (CAS 868965-85-9), with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol. IUPAC: 2-[3-(benzenesulfonyl)propanoylamino]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of F1831-0139
Property Insights of F1831-0139
The XLogP value of 3.1791 indicates that F1831-0139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F1831-0139. Following Lipinski's Rule of Five, F1831-0139 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 F1831-0139?
The CAS number of F1831-0139 is 868965-85-9.
What is the molecular formula of F1831-0139?
The molecular formula of F1831-0139 is C20H24N2O4S2.
What is the molecular weight of F1831-0139?
The molecular weight of F1831-0139 is 420.12 g/mol.
Where can I buy F1831-0139?
You can request a quote for F1831-0139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1831-0139?
Yes, KEHONG BIO provides custom synthesis services for F1831-0139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.