IFLab1_006455
TL;DR: IFLab1_006455 (CAS 618373-88-9) is a chemical compound with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
Also Known As: IFLab1_006455, 2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one, AF-399/41901063, 5-(3-chlorophenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(3-chlorophenyl)-3-hydroxy-4-[(5-methylfuran-2-yl)carbonyl]-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H20ClNO5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.99872 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.103 |
| Heavy Atoms | 28 |
| Complexity | 957.21045 |
Chemical Identifiers
| CAS Number | 618373-88-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)Cl)CC4CCCO4)O |
Product Overview
IFLab1_006455 (CAS 618373-88-9), with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol. IUPAC: 2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
Chemical Property Profile of IFLab1_006455
Property Insights of IFLab1_006455
The XLogP value of 3.99872 indicates that IFLab1_006455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006455. Following Lipinski's Rule of Five, IFLab1_006455 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 IFLab1_006455?
The CAS number of IFLab1_006455 is 618373-88-9.
What is the molecular formula of IFLab1_006455?
The molecular formula of IFLab1_006455 is C21H20ClNO5.
What is the molecular weight of IFLab1_006455?
The molecular weight of IFLab1_006455 is 401.10 g/mol.
Where can I buy IFLab1_006455?
You can request a quote for IFLab1_006455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006455?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.