(3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
TL;DR: (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1024315-57-8) is a chemical compound with molecular formula C30H24BrN5O4 and molecular weight 597.1012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1-benzhydryltetrazol-5-yl)-(4-bromophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 2-{(4-bromophenyl)[1-(diphenylmethyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Technical Specifications
| Molecular Formula | C30H24BrN5O4 |
| Molecular Weight | 597.1012 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 597.1012 Da |
| Heavy Atoms | 40 |
| Complexity | 977.0 |
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1C(C4=CC=C(C=C4)Br)C5=NN=NN5C(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O |
| InChIKey | CVXQZQCCPWPRJC-UHFFFAOYSA-N |
Chemical Property Profile of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Property Insights of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
The XLogP value of 3.6 indicates that (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The CAS number of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1024315-57-8.
What is the molecular formula of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular formula of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C30H24BrN5O4.
What is the molecular weight of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular weight of (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 597.1012 g/mol.
Where can I buy (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
You can request a quote for (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3aS,6R)-2-((1-benzhydryl-1H-tetrazol-5-yl)(4-bromophenyl)methyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.