amino}benzoyl)glutamic acid structure](/static/products/5186/51865-83-9.webp)
n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid
TL;DR: n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid (CAS 51865-83-9) is a chemical compound with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid
Also Known As: J2.436.834C, n-(4-{[(benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid, Glutamic acid, N-[4-[methyl[(phenylmethoxy)carbonyl]amino]benzoyl]-, 2-[[4-[[(Benzyloxy)carbonyl](methyl)amino]benzoyl]amino]pentanedioic acid, 2-[[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]pentanedioic acid
| Molecular Formula | C21H22N2O7 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.1427 |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 51865-83-9 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2 |
| InChIKey | PTHXINLKODANBO-UHFFFAOYSA-N |
Product Overview
n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid (CAS 51865-83-9), with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol. IUPAC: 2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid
Property Insights of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid. Following Lipinski's Rule of Five, n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic 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 n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid?
The CAS number of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid is 51865-83-9.
What is the molecular formula of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid?
The molecular formula of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid is C21H22N2O7.
What is the molecular weight of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid?
The molecular weight of n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid is 414.14 g/mol.
Where can I buy n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid?
You can request a quote for n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid?
Yes, KEHONG BIO provides custom synthesis services for n-(4-{[(Benzyloxy)carbonyl](methyl)amino}benzoyl)glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.