3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide
TL;DR: 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide (CAS 1212233-06-1) is a chemical compound with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
Also Known As: 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide, 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
| Molecular Formula | C21H22N4O5 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 1.7027 |
| Topological Polar Surface Area | 114.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.15903 |
| Heavy Atoms | 30 |
| Complexity | 955.53784 |
Chemical Identifiers
| CAS Number | 1212233-06-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O |
Product Overview
3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide (CAS 1212233-06-1), with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol. IUPAC: 3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
Chemical Property Profile of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide
Property Insights of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide
The XLogP value of 1.7027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide. The TPSA of 114.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide. Following Lipinski's Rule of Five, 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide?
The CAS number of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide is 1212233-06-1.
What is the molecular formula of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide?
The molecular formula of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide is C21H22N4O5.
What is the molecular weight of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide?
The molecular weight of 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide is 410.16 g/mol.
Where can I buy 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide?
You can request a quote for 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.