2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione
TL;DR: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione (CAS 85364-37-0) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione
Also Known As: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione, 2-Methyl-4-(3-oxobutyl)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 85364-37-0 |
|---|---|
| SMILES | CC(=O)CCC1C2=CC=CC=C2C(=O)N(C1=O)C |
| InChIKey | MZCFNJYOSFDDDC-UHFFFAOYSA-N |
Product Overview
2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione (CAS 85364-37-0), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione
Property Insights of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione. With a topological polar surface area (TPSA) of 54.5 Ų, 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione 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 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione?
The CAS number of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione is 85364-37-0.
What is the molecular formula of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione?
The molecular formula of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione is C14H15NO3.
What is the molecular weight of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione?
The molecular weight of 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione is 245.11 g/mol.
Where can I buy 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione?
You can request a quote for 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-(3-oxobutyl)-4H-isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.