1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
TL;DR: 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid (CAS 5451-06-9) is a chemical compound with molecular formula C22H28N2O7 and molecular weight 432.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aS,7aS)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: 1-Cgpic, 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid, (2s,3as,7as)-1-[(4r)-4-{[(benzyloxy)carbonyl]amino}-4-carboxybutanoyl]octahydro-1h-indole-2-carboxylic acid(non-preferred name), 1-(4-Benzyloxycarbonylamino-4-carboxy-butyryl)-octahydro-indole-2-carboxylic acid, (2S,3aS,7aS)-1-[(4R)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
| Molecular Formula | C22H28N2O7 |
|---|---|
| Molecular Weight | 432.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.18964 |
| Heavy Atoms | 31 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 5451-06-9 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)CC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)O |
| InChIKey | IVXOVTQLQGFEFD-MHORFTMASA-N |
Product Overview
1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid (CAS 5451-06-9), with molecular formula C22H28N2O7 and molecular weight 432.19 g/mol. IUPAC: (2S,3aS,7aS)-1-[(4R)-4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
Chemical Property Profile of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
Property Insights of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid has 3 hydrogen bond donor(s) and 7 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 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid?
The CAS number of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid is 5451-06-9.
What is the molecular formula of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid?
The molecular formula of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid is C22H28N2O7.
What is the molecular weight of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid?
The molecular weight of 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid is 432.19 g/mol.
Where can I buy 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid?
You can request a quote for 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-Carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.