3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
TL;DR: 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 831229-94-8) is a chemical compound with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2-chlorobenzoyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
Also Known As: 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid, 3-[5-[(2-chlorobenzoyl)amino]-1,3-dioxo-isoindol-2-yl]propanoic Acid, 3-[5-[(2-chlorobenzoyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid, 3-(5-{[(2-chlorophenyl)carbonyl]amino}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
| Molecular Formula | C18H13ClN2O5 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 2.663 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.0513 |
| Heavy Atoms | 26 |
| Complexity | 940.9287 |
Chemical Identifiers
| CAS Number | 831229-94-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)Cl |
Product Overview
3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 831229-94-8), with molecular formula C18H13ClN2O5 and molecular weight 372.05 g/mol. IUPAC: 3-[5-[(2-chlorobenzoyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid.
Chemical Property Profile of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
Property Insights of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
The XLogP value of 2.663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The CAS number of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is 831229-94-8.
What is the molecular formula of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular formula of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is C18H13ClN2O5.
What is the molecular weight of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular weight of 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is 372.05 g/mol.
Where can I buy 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
You can request a quote for 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(2-chlorobenzamido)-1,3-dioxoisoindolin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.