N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
TL;DR: N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (CAS 381194-66-7) is a chemical compound with molecular formula C18H19ClN2O3 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
Also Known As: BAS 02081561, N-benzyl-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide, N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide, N-Benzyl-3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-propionamide, N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)propanamide
| Molecular Formula | C18H19ClN2O3 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.2106 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.10843 |
| Heavy Atoms | 24 |
| Complexity | 686.7641 |
Chemical Identifiers
| CAS Number | 381194-66-7 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)N(C2=O)CCC(=O)NCC3=CC=CC=C3)Cl |
Product Overview
N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (CAS 381194-66-7), with molecular formula C18H19ClN2O3 and molecular weight 346.11 g/mol. IUPAC: N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide.
Chemical Property Profile of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
Property Insights of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
The XLogP value of 2.2106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide. Following Lipinski's Rule of Five, N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide has 1 hydrogen bond donor(s) and 3 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 N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The CAS number of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is 381194-66-7.
What is the molecular formula of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The molecular formula of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is C18H19ClN2O3.
What is the molecular weight of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The molecular weight of N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is 346.11 g/mol.
Where can I buy N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
You can request a quote for N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.