IFLab1_004643
TL;DR: IFLab1_004643 (CAS 438488-99-4) is a chemical compound with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)benzo[cd]indole-6-sulfonamide
Also Known As: IFLab1_004643, IDI1_010398, F1094-0306, 1-ethyl-2-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide, 2-ethyl-3-oxo-N-[(oxolan-2-yl)methyl]-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-9-sulfonamide
| Molecular Formula | C18H20N2O4S |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 2.2772 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.11438 |
| Heavy Atoms | 25 |
| Complexity | 948.9476 |
Chemical Identifiers
| CAS Number | 438488-99-4 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4CCCO4)C=CC=C3C1=O |
Product Overview
IFLab1_004643 (CAS 438488-99-4), with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol. IUPAC: 1-ethyl-2-oxo-N-(oxolan-2-ylmethyl)benzo[cd]indole-6-sulfonamide.
Chemical Property Profile of IFLab1_004643
Property Insights of IFLab1_004643
The XLogP value of 2.2772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004643. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004643. Following Lipinski's Rule of Five, IFLab1_004643 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 IFLab1_004643?
The CAS number of IFLab1_004643 is 438488-99-4.
What is the molecular formula of IFLab1_004643?
The molecular formula of IFLab1_004643 is C18H20N2O4S.
What is the molecular weight of IFLab1_004643?
The molecular weight of IFLab1_004643 is 360.11 g/mol.
Where can I buy IFLab1_004643?
You can request a quote for IFLab1_004643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004643?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.