F2558-0131
TL;DR: F2558-0131 (CAS 896344-83-5) is a chemical compound with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F2558-0131, 2-(4-(methylsulfonyl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(4-methanesulfonylbenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide, 2-(p-mesylbenzylamino)-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxamide, 2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C18H20N2O4S2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 2.7717 |
| Topological Polar Surface Area | 106.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08646 |
| Heavy Atoms | 26 |
| Complexity | 959.82245 |
Chemical Identifiers
| CAS Number | 896344-83-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N |
Product Overview
F2558-0131 (CAS 896344-83-5), with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol. IUPAC: 2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of F2558-0131
Property Insights of F2558-0131
The XLogP value of 2.7717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2558-0131. The TPSA of 106.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F2558-0131. Following Lipinski's Rule of Five, F2558-0131 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 F2558-0131?
The CAS number of F2558-0131 is 896344-83-5.
What is the molecular formula of F2558-0131?
The molecular formula of F2558-0131 is C18H20N2O4S2.
What is the molecular weight of F2558-0131?
The molecular weight of F2558-0131 is 392.09 g/mol.
Where can I buy F2558-0131?
You can request a quote for F2558-0131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2558-0131?
Yes, KEHONG BIO provides custom synthesis services for F2558-0131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.