F0463-0042
TL;DR: F0463-0042 (CAS 391866-87-8) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]thiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: F0463-0042, N-(3-cyano-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]thiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide, N-(3-cyano-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]thiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide, N-{3-cyano-2H,3H,4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide, N-(10-cyano-8-thiabicyclo[5.3.0]dec-11-en-9-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 2.82968 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 866.97815 |
Chemical Identifiers
| CAS Number | 391866-87-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(C2C#N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
F0463-0042 (CAS 391866-87-8), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: N-(3-cyano-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]thiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
Chemical Property Profile of F0463-0042
Property Insights of F0463-0042
The XLogP value of 2.82968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0463-0042. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for F0463-0042. Following Lipinski's Rule of Five, F0463-0042 has 1 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 F0463-0042?
The CAS number of F0463-0042 is 391866-87-8.
What is the molecular formula of F0463-0042?
The molecular formula of F0463-0042 is C20H19N3O3S.
What is the molecular weight of F0463-0042?
The molecular weight of F0463-0042 is 381.11 g/mol.
Where can I buy F0463-0042?
You can request a quote for F0463-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0463-0042?
Yes, KEHONG BIO provides custom synthesis services for F0463-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.