N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine
TL;DR: N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine (CAS 18814-50-1) is a chemical compound with molecular formula C13H23N3O6 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-5-amino-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoic acid
Also Known As: Boc-ala-D-Glu-NH2, Boc-Ala-D-Isogln-OH, Boc-Ala-D-isoglutamine, tert-butyoxycarbonyl-L-alanyl-D-isoglutamine, N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-D-alpha-glutamine
| Molecular Formula | C13H23N3O6 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | -0.2655 |
| Topological Polar Surface Area | 147.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1587 |
| Heavy Atoms | 22 |
| Complexity | 443.5466 |
Chemical Identifiers
| CAS Number | 18814-50-1 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)OC(C)(C)C |
Product Overview
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine (CAS 18814-50-1), with molecular formula C13H23N3O6 and molecular weight 317.16 g/mol. IUPAC: (4R)-5-amino-4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine
Property Insights of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine
The XLogP value of -0.2655 indicates that N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.82 Ų indicates high polarity, suggesting N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine has 4 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-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine?
The CAS number of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine is 18814-50-1.
What is the molecular formula of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine?
The molecular formula of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine is C13H23N3O6.
What is the molecular weight of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine?
The molecular weight of N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine is 317.16 g/mol.
Where can I buy N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine?
You can request a quote for N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine?
Yes, KEHONG BIO provides custom synthesis services for N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-D-alpha-glutamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.