C29H28Cl2N6O4
TL;DR: C29H28Cl2N6O4 (CAS 1024447-18-4) is a chemical compound with molecular formula C29H28Cl2N6O4 and molecular weight 594.1549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-6-(morpholine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
Also Known As: 2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-7-(morpholin-4-ylcarbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, (3aS,6R)-2-((2,4-dichlorophenyl)(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-7-(morpholine-4-carbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C29H28Cl2N6O4
Technical Specifications
| Molecular Formula | C29H28Cl2N6O4 |
| Molecular Weight | 594.1549 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 594.1549 Da |
| Heavy Atoms | 41 |
| Complexity | 1050.0 |
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=C(C=C(C=C3)Cl)Cl)N4CC56C=CC(O5)C(C6C4=O)C(=O)N7CCOCC7 |
| InChIKey | ADJWRFBQDAZQJA-UHFFFAOYSA-N |
Chemical Property Profile of C29H28Cl2N6O4
Property Insights of C29H28Cl2N6O4
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C29H28Cl2N6O4. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H28Cl2N6O4. Following Lipinski's Rule of Five, C29H28Cl2N6O4 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H28Cl2N6O4?
The CAS number of C29H28Cl2N6O4 is 1024447-18-4.
What is the molecular formula of C29H28Cl2N6O4?
The molecular formula of C29H28Cl2N6O4 is C29H28Cl2N6O4.
What is the molecular weight of C29H28Cl2N6O4?
The molecular weight of C29H28Cl2N6O4 is 594.1549 g/mol.
Where can I buy C29H28Cl2N6O4?
You can request a quote for C29H28Cl2N6O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H28Cl2N6O4?
Yes, CoreyChem provides custom synthesis services for C29H28Cl2N6O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.