Ici D2138
TL;DR: Ici D2138 (CAS 140841-32-3) is a chemical compound with molecular formula C23H24FNO4 and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
Also Known As: Ici D2138, Ici-D2138, ICI-D-2138, ZD 2138, ICI D-2138
| Molecular Formula | C23H24FNO4 |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.16895 |
| Heavy Atoms | 29 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 140841-32-3 |
|---|---|
| SMILES | CN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F |
| InChIKey | SLZBEPLWGGRZAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici D2138 (CAS 140841-32-3), with molecular formula C23H24FNO4 and molecular weight 397.17 g/mol. IUPAC: 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one.
Chemical Property Profile of Ici D2138
Property Insights of Ici D2138
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici D2138. With a topological polar surface area (TPSA) of 48.0 Ų, Ici D2138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici D2138 has 0 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 Ici D2138?
The CAS number of Ici D2138 is 140841-32-3.
What is the molecular formula of Ici D2138?
The molecular formula of Ici D2138 is C23H24FNO4.
What is the molecular weight of Ici D2138?
The molecular weight of Ici D2138 is 397.17 g/mol.
Where can I buy Ici D2138?
You can request a quote for Ici D2138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici D2138?
Yes, KEHONG BIO provides custom synthesis services for Ici D2138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.