methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate
TL;DR: methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate (CAS 1007999-60-1) is a chemical compound with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetamido-5-(benzylcarbamoylamino)-5-oxopentanoate
Also Known As: methyl 4-acetamido-5-(benzylcarbamoylamino)-5-oxopentanoate, methyl 4-acetamido-5-(3-benzylureido)-5-oxopentanoate, methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate
| Molecular Formula | C16H21N3O5 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 0.4703 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.14813 |
| Heavy Atoms | 24 |
| Complexity | 588.6355 |
Chemical Identifiers
| CAS Number | 1007999-60-1 |
|---|---|
| SMILES | CC(=O)NC(CCC(=O)OC)C(=O)NC(=O)NCC1=CC=CC=C1 |
Product Overview
methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate (CAS 1007999-60-1), with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol. IUPAC: methyl 4-acetamido-5-(benzylcarbamoylamino)-5-oxopentanoate.
Chemical Property Profile of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate
Property Insights of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate
The XLogP value of 0.4703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate. The TPSA of 113.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate. Following Lipinski's Rule of Five, methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate has 3 hydrogen bond donor(s) and 5 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 methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate?
The CAS number of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate is 1007999-60-1.
What is the molecular formula of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate?
The molecular formula of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate is C16H21N3O5.
What is the molecular weight of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate?
The molecular weight of methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate is 335.15 g/mol.
Where can I buy methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate?
You can request a quote for methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate?
Yes, KEHONG BIO provides custom synthesis services for methyl N~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.