1,3-bis propane-1,3-dione
TL;DR: 1,3-bis propane-1,3-dione (CAS 144400-96-4) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propane-1,3-dione
Also Known As: 1,3-bis propane-1,3-dione, 5,5'-(1,3-Dioxo-1,3-propanediyl)bis(1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one), 2H-1,5-Benzodiazepin-2-one, 5,5'-(1,3-dioxo-1,3-propanediyl)bis(1,3,4,5-tetrahydro-4-methyl-, 1,3-bis(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propane-1,3-dione, 1,3-bis(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-2-yl )propane-1,3-dione
Technical Specifications
| Molecular Formula | C23H24N4O4 |
| Molecular Weight | 420.17975 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.17975 Da |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1C(=O)CC(=O)N3C(CC(=O)NC4=CC=CC=C43)C |
| InChIKey | WFNOUKDAZDWWSU-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-bis propane-1,3-dione
Property Insights of 1,3-bis propane-1,3-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-bis propane-1,3-dione. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis propane-1,3-dione. Following Lipinski's Rule of Five, 1,3-bis propane-1,3-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-bis propane-1,3-dione?
The CAS number of 1,3-bis propane-1,3-dione is 144400-96-4.
What is the molecular formula of 1,3-bis propane-1,3-dione?
The molecular formula of 1,3-bis propane-1,3-dione is C23H24N4O4.
What is the molecular weight of 1,3-bis propane-1,3-dione?
The molecular weight of 1,3-bis propane-1,3-dione is 420.17975 g/mol.
Where can I buy 1,3-bis propane-1,3-dione?
You can request a quote for 1,3-bis propane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-bis propane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1,3-bis propane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.