IFLab1_006461
TL;DR: IFLab1_006461 (CAS 631891-00-4) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: IFLab1_006461, 2-(2-methoxyethyl)-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 2-(2-methoxyethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 3.29302 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 1036.0555 |
Chemical Identifiers
| CAS Number | 631891-00-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(C(=O)N2CCOC)OC4=CC=CC=C4C3=O |
Product Overview
IFLab1_006461 (CAS 631891-00-4), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: 2-(2-methoxyethyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of IFLab1_006461
Property Insights of IFLab1_006461
The XLogP value of 3.29302 indicates that IFLab1_006461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, IFLab1_006461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_006461 has 0 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_006461?
The CAS number of IFLab1_006461 is 631891-00-4.
What is the molecular formula of IFLab1_006461?
The molecular formula of IFLab1_006461 is C21H19NO4.
What is the molecular weight of IFLab1_006461?
The molecular weight of IFLab1_006461 is 349.13 g/mol.
Where can I buy IFLab1_006461?
You can request a quote for IFLab1_006461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006461?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.