![4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate structure](/static/products/1360/136027-06-0.webp)
4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate
TL;DR: 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate (CAS 136027-06-0) is a chemical compound with molecular formula C21H21N3O9 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate
Also Known As: 4-methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate, 4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonyla, 4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate
| Molecular Formula | C21H21N3O9 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 459.12778 |
| Heavy Atoms | 33 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 136027-06-0 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)OCC2=CC=CC=C2 |
| InChIKey | YBPUGGGPRGKDDO-UHFFFAOYSA-N |
Product Overview
4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate (CAS 136027-06-0), with molecular formula C21H21N3O9 and molecular weight 459.13 g/mol. IUPAC: 4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate.
Chemical Property Profile of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate
Property Insights of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate. The TPSA of 166.0 Ų indicates high polarity, suggesting 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate has 2 hydrogen bond donor(s) and 9 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 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate?
The CAS number of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate is 136027-06-0.
What is the molecular formula of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate?
The molecular formula of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate is C21H21N3O9.
What is the molecular weight of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate?
The molecular weight of 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate is 459.13 g/mol.
Where can I buy 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate?
You can request a quote for 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.