3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid
TL;DR: 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid (CAS 620099-68-5) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid
Also Known As: 3-(6-nitro-1-oxoisoindolin-2-yl)propanoic acid, 3-(6-NITRO-1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID, 3-(5-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid, 3-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, 2H-isoindole-2-propanoic acid, 1,3-dihydro-6-nitro-1-oxo-
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.0253 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 540.23517 |
Chemical Identifiers
| CAS Number | 620099-68-5 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CCC(=O)O |
Product Overview
3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid (CAS 620099-68-5), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: 3-(5-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid.
Chemical Property Profile of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid
Property Insights of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid
The XLogP value of 1.0253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid. Following Lipinski's Rule of Five, 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid has 1 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-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid?
The CAS number of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid is 620099-68-5.
What is the molecular formula of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid?
The molecular formula of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid is C11H10N2O5.
What is the molecular weight of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid?
The molecular weight of 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid is 250.06 g/mol.
Where can I buy 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid?
You can request a quote for 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-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-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.