![N-[(Benzyloxy)carbonyl]-N-methylglycylvaline structure](/static/products/5178/51782-89-9.webp)
N-[(Benzyloxy)carbonyl]-N-methylglycylvaline
TL;DR: N-[(Benzyloxy)carbonyl]-N-methylglycylvaline (CAS 51782-89-9) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]butanoic acid
Also Known As: N-[(Benzyloxy)carbonyl]-N-methylglycylvaline, 3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]butanoic acid, 3-methyl-2-[[2-(methyl-phenylmethoxycarbonyl-amino)acetyl]amino]butanoic acid
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 51782-89-9 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)CN(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | XCUDDGWXYCDJGM-UHFFFAOYSA-N |
Product Overview
N-[(Benzyloxy)carbonyl]-N-methylglycylvaline (CAS 51782-89-9), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 3-methyl-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]butanoic acid.
Chemical Property Profile of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline
Property Insights of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(Benzyloxy)carbonyl]-N-methylglycylvaline. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Benzyloxy)carbonyl]-N-methylglycylvaline. Following Lipinski's Rule of Five, N-[(Benzyloxy)carbonyl]-N-methylglycylvaline has 2 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 N-[(Benzyloxy)carbonyl]-N-methylglycylvaline?
The CAS number of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline is 51782-89-9.
What is the molecular formula of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline?
The molecular formula of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline is C16H22N2O5.
What is the molecular weight of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline?
The molecular weight of N-[(Benzyloxy)carbonyl]-N-methylglycylvaline is 322.15 g/mol.
Where can I buy N-[(Benzyloxy)carbonyl]-N-methylglycylvaline?
You can request a quote for N-[(Benzyloxy)carbonyl]-N-methylglycylvaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Benzyloxy)carbonyl]-N-methylglycylvaline?
Yes, KEHONG BIO provides custom synthesis services for N-[(Benzyloxy)carbonyl]-N-methylglycylvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.