Akj2MW54BH
TL;DR: Akj2MW54BH (CAS 68641-01-0) is a chemical compound with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-carbaldehyde
Also Known As: 3-((Dimethylamino)methylene)-2-oxo-1-pentanoyl-5-indolinecarbaldehyde, (3Z)-3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-, 3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-carbaldehyde, 3-((Dimethylamino)methylene)-2-oxo-1-pentanoylindoline-5-carbaldehyde, 3-[(Dimethylamino)methylene]-2,3-dihydro-2-oxo-1-(1-oxopentyl)-1H-indole-5-carboxaldehyde
| Molecular Formula | C17H20N2O3 |
|---|---|
| Molecular Weight | 300.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.1474 |
| Heavy Atoms | 22 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 68641-01-0 |
|---|---|
| SMILES | CCCCC(=O)N1C2=C(C=C(C=C2)C=O)C(=CN(C)C)C1=O |
| InChIKey | LQKILBMAOMOWGL-UHFFFAOYSA-N |
Product Overview
Akj2MW54BH (CAS 68641-01-0), with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol. IUPAC: 3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-carbaldehyde.
Chemical Property Profile of Akj2MW54BH
Property Insights of Akj2MW54BH
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Akj2MW54BH. With a topological polar surface area (TPSA) of 57.7 Ų, Akj2MW54BH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Akj2MW54BH 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 Akj2MW54BH?
The CAS number of Akj2MW54BH is 68641-01-0.
What is the molecular formula of Akj2MW54BH?
The molecular formula of Akj2MW54BH is C17H20N2O3.
What is the molecular weight of Akj2MW54BH?
The molecular weight of Akj2MW54BH is 300.15 g/mol.
Where can I buy Akj2MW54BH?
You can request a quote for Akj2MW54BH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Akj2MW54BH?
Yes, KEHONG BIO provides custom synthesis services for Akj2MW54BH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.