2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid
TL;DR: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid (CAS 433232-83-8) is a chemical compound with molecular formula C14H14ClN3O4 and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid, 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid, 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid, 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(3H-imidazol-4-yl)propanoic Acid
| Molecular Formula | C14H14ClN3O4 |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 0.9231 |
| Topological Polar Surface Area | 103.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0673 |
| Heavy Atoms | 22 |
| Complexity | 655.05505 |
Chemical Identifiers
| CAS Number | 433232-83-8 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O)Cl |
Product Overview
2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid (CAS 433232-83-8), with molecular formula C14H14ClN3O4 and molecular weight 323.07 g/mol. IUPAC: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid
Property Insights of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid
The XLogP value of 0.9231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid. The TPSA of 103.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-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 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid?
The CAS number of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid is 433232-83-8.
What is the molecular formula of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid?
The molecular formula of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid is C14H14ClN3O4.
What is the molecular weight of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid?
The molecular weight of 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid is 323.07 g/mol.
Where can I buy 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid?
You can request a quote for 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-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 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-3-(1H-imidazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.