F2553-0100
TL;DR: F2553-0100 (CAS 896347-35-6) is a chemical compound with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
Also Known As: F2553-0100, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(methylthio)benzamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(methylsulfanyl)benzamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfanylbenzamide, N-(3-cyano-1-thia-5,6,7,8-tetrahydro-4H-azulen-2-yl)o-(methylthio)benzamide
| Molecular Formula | C18H18N2OS2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.86288 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.08606 |
| Heavy Atoms | 23 |
| Complexity | 773.81415 |
Chemical Identifiers
| CAS Number | 896347-35-6 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
F2553-0100 (CAS 896347-35-6), with molecular formula C18H18N2OS2 and molecular weight 342.09 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylsulfanylbenzamide.
Chemical Property Profile of F2553-0100
Property Insights of F2553-0100
The XLogP value of 4.86288 indicates that F2553-0100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, F2553-0100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2553-0100 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 F2553-0100?
The CAS number of F2553-0100 is 896347-35-6.
What is the molecular formula of F2553-0100?
The molecular formula of F2553-0100 is C18H18N2OS2.
What is the molecular weight of F2553-0100?
The molecular weight of F2553-0100 is 342.09 g/mol.
Where can I buy F2553-0100?
You can request a quote for F2553-0100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2553-0100?
Yes, KEHONG BIO provides custom synthesis services for F2553-0100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.