N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate
TL;DR: N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate (CAS 6758-40-3) is a chemical compound with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrobenzoyl)amino]pentanedioic acid
Also Known As: N-(4-Nitrobenzoyl)glutamic acid, n-(p-nitrobenzoyl)glutamic acid, Glutamic acid, L-, p-Nitrobenzoyl-L-glutamic acid, 2-(4-Nitrobenzamido)pentanedioic acid
| Molecular Formula | C12H12N2O7 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.06445 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 6758-40-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | NOJZBJAFCSWMKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate (CAS 6758-40-3), with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol. IUPAC: 2-[(4-nitrobenzoyl)amino]pentanedioic acid.
Chemical Property Profile of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate
Property Insights of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate. The TPSA of 150.0 Ų indicates high polarity, suggesting N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate 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 N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate?
The CAS number of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate is 6758-40-3.
What is the molecular formula of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate?
The molecular formula of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate is C12H12N2O7.
What is the molecular weight of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate?
The molecular weight of N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate is 296.06 g/mol.
Where can I buy N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate?
You can request a quote for N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.