2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 1005122-61-1) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.07678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid
Also Known As: 2-chloro-5-(5-methyl-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoic acid, 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid, 2-chloro-5-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic Acid
Technical Specifications
| Molecular Formula | C16H16ClNO4 |
| Molecular Weight | 321.07678 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.07678 Da |
| Heavy Atoms | 22 |
| Complexity | 508.0 |
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O |
| InChIKey | UPYLROKHLZJDBD-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic 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
What is the CAS number of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is 1005122-61-1.
What is the molecular formula of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is C16H16ClNO4.
What is the molecular weight of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is 321.07678 g/mol.
Where can I buy 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-chloro-5-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.