AB00681780-01
TL;DR: AB00681780-01 (CAS 1005136-64-0) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: AB00681780-01, 1-benzyl-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(2H,5H)-dione, 1-benzyl-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione, F3023-0604, 1-benzyl-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
Technical Specifications
| Molecular Formula | C21H23N3O4 |
| Molecular Weight | 381.16885 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.16885 Da |
| Heavy Atoms | 28 |
| Complexity | 580.0 |
| SMILES | COCCN1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC=CC=C4O |
| InChIKey | GBPYHANSDUEAFK-UHFFFAOYSA-N |
Chemical Property Profile of AB00681780-01
Property Insights of AB00681780-01
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00681780-01. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681780-01. Following Lipinski's Rule of Five, AB00681780-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00681780-01?
The CAS number of AB00681780-01 is 1005136-64-0.
What is the molecular formula of AB00681780-01?
The molecular formula of AB00681780-01 is C21H23N3O4.
What is the molecular weight of AB00681780-01?
The molecular weight of AB00681780-01 is 381.16885 g/mol.
Where can I buy AB00681780-01?
You can request a quote for AB00681780-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00681780-01?
Yes, CoreyChem provides custom synthesis services for AB00681780-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.