AB00858113-04
TL;DR: AB00858113-04 (CAS 1212355-10-6) is a chemical compound with molecular formula C20H19ClN4O4 and molecular weight 414.1095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
Also Known As: AB00858113-04, 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide, N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)propanamide
Technical Specifications
| Molecular Formula | C20H19ClN4O4 |
| Molecular Weight | 414.1095 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1095 Da |
| Heavy Atoms | 29 |
| Complexity | 653.0 |
| SMILES | C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)Cl |
| InChIKey | CHQOFRUSHZHYDV-GASCZTMLSA-N |
Chemical Property Profile of AB00858113-04
Property Insights of AB00858113-04
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00858113-04. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00858113-04. Following Lipinski's Rule of Five, AB00858113-04 has 1 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 AB00858113-04?
The CAS number of AB00858113-04 is 1212355-10-6.
What is the molecular formula of AB00858113-04?
The molecular formula of AB00858113-04 is C20H19ClN4O4.
What is the molecular weight of AB00858113-04?
The molecular weight of AB00858113-04 is 414.1095 g/mol.
Where can I buy AB00858113-04?
You can request a quote for AB00858113-04 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00858113-04?
Yes, CoreyChem provides custom synthesis services for AB00858113-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.