C21H21N3O5
TL;DR: C21H21N3O5 (CAS 1212490-56-6) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,6S,7R)-4-(1,3-benzodioxol-5-yl)-7-(2,2-dimethylpropanoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aS,4bR,7aS,8R)-6-(1,3-benzodioxol-5-yl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aS,4bR,7aS,8R)-6-(benzo[d][1,3]dioxol-5-yl)-8-pivaloyl-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Technical Specifications
| Molecular Formula | C21H21N3O5 |
| Molecular Weight | 395.14813 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.14813 Da |
| Heavy Atoms | 29 |
| Complexity | 816.0 |
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H]2[C@H]([C@H]3N1N=CC=C3)C(=O)N(C2=O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | CORKNSZWXIBLJE-OSMBCOQSSA-N |
Chemical Property Profile of C21H21N3O5
Property Insights of C21H21N3O5
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H21N3O5. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H21N3O5. Following Lipinski's Rule of Five, C21H21N3O5 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H21N3O5?
The CAS number of C21H21N3O5 is 1212490-56-6.
What is the molecular formula of C21H21N3O5?
The molecular formula of C21H21N3O5 is C21H21N3O5.
What is the molecular weight of C21H21N3O5?
The molecular weight of C21H21N3O5 is 395.14813 g/mol.
Where can I buy C21H21N3O5?
You can request a quote for C21H21N3O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H21N3O5?
Yes, CoreyChem provides custom synthesis services for C21H21N3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.