![(2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid structure](/static/products/391/391647-86-2.png)
(2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid
TL;DR: (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid (CAS 391647-86-2) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(3aR,4S,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid, (alphaR,3aR,4S,7R,7aS)-Octahydro-alpha-(1H-imidazol-5-ylmethyl)-1,3-dioxo-4,7-epoxy-2H-isoindole-2-acetic acid, (I+/-R,3aR,4S,7R,7aS)-Octahydro-I+/--(1H-imidazol-5-ylmethyl)-1,3-dioxo-4,7-epoxy-2H-isoindole-2-acetic acid, (R)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-3-(3H-imidazol-4-yl)-propionic acid
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | -0.4322 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 614.9133 |
Chemical Identifiers
| CAS Number | 391647-86-2 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)[C@H](CC4=CN=CN4)C(=O)O |
Product Overview
(2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid (CAS 391647-86-2), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: (2R)-2-[(3aR,4S,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid
Property Insights of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid
The XLogP value of -0.4322 indicates that (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid. Following Lipinski's Rule of Five, (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid has 2 hydrogen bond donor(s) and 5 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 (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid?
The CAS number of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid is 391647-86-2.
What is the molecular formula of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid?
The molecular formula of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid is C14H15N3O5.
What is the molecular weight of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid?
The molecular weight of (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid is 305.10 g/mol.
Where can I buy (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid?
You can request a quote for (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-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 (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-[(3aR,4S,7R,7aS)-1,3-Dioxooctahydro-2H-4,7-epoxyisoindol-2-yl]-3-(1H-imidazol-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.