IFLab1_004141
TL;DR: IFLab1_004141 (CAS 301671-31-8) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: IFLab1_004141, BAS 05228970, F0848-0044, VU0002025-2, AF-399/14031011
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.0861 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 725.07983 |
Chemical Identifiers
| CAS Number | 301671-31-8 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)O4)C |
Product Overview
IFLab1_004141 (CAS 301671-31-8), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 4,7,7-trimethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of IFLab1_004141
Property Insights of IFLab1_004141
The XLogP value of 3.0861 indicates that IFLab1_004141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, IFLab1_004141 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004141 has 0 hydrogen bond donor(s) and 3 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_004141?
The CAS number of IFLab1_004141 is 301671-31-8.
What is the molecular formula of IFLab1_004141?
The molecular formula of IFLab1_004141 is C19H23NO3.
What is the molecular weight of IFLab1_004141?
The molecular weight of IFLab1_004141 is 313.17 g/mol.
Where can I buy IFLab1_004141?
You can request a quote for IFLab1_004141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004141?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.