ChemDiv2_006225
TL;DR: ChemDiv2_006225 (CAS 1036727-06-6) is a chemical compound with molecular formula C26H26N6O6 and molecular weight 518.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
Also Known As: ChemDiv2_006225, IDI1_004940, F3407-0798, N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(3-methyl-1H-pyrazol-5-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
Technical Specifications
| Molecular Formula | C26H26N6O6 |
| Molecular Weight | 518.1914 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.1914 Da |
| Heavy Atoms | 38 |
| Complexity | 903.0 |
| SMILES | CC1=CC(=NN1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC5=C(C=C4)OCO5 |
| InChIKey | HJJUBRHXZRVRSK-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv2_006225
Property Insights of ChemDiv2_006225
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006225. The TPSA of 146.0 Ų indicates high polarity, suggesting ChemDiv2_006225 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv2_006225 has 3 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 ChemDiv2_006225?
The CAS number of ChemDiv2_006225 is 1036727-06-6.
What is the molecular formula of ChemDiv2_006225?
The molecular formula of ChemDiv2_006225 is C26H26N6O6.
What is the molecular weight of ChemDiv2_006225?
The molecular weight of ChemDiv2_006225 is 518.1914 g/mol.
Where can I buy ChemDiv2_006225?
You can request a quote for ChemDiv2_006225 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv2_006225?
Yes, CoreyChem provides custom synthesis services for ChemDiv2_006225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.