Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate
TL;DR: Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate (CAS 41863-57-4) is a chemical compound with molecular formula C30H44N6O12 and molecular weight 680.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-[2-[[1-[2-[[3-hydroxy-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanoate
Also Known As: n-7-dodecyn-1-ol, Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate, methyl 3-hydroxy-2-[2-[[1-[2-[[3-hydroxy-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanoate, 1-(N-{2-[(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1,3-dihydroxybutylidene)amino]-1,3-dihydroxypropylidene}glycyl)-N-{1-hydroxy-1-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)imino]propan-2-yl}pyrrolidine-2-carboximidic acid
| Molecular Formula | C30H44N6O12 |
|---|---|
| Molecular Weight | 680.30 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 680.3017 |
| Heavy Atoms | 48 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 41863-57-4 |
|---|---|
| SMILES | CC(C(C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C(C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2)O |
| InChIKey | XZNXMBIXXMHCFO-UHFFFAOYSA-N |
Product Overview
Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate (CAS 41863-57-4), with molecular formula C30H44N6O12 and molecular weight 680.30 g/mol. IUPAC: methyl 3-hydroxy-2-[2-[[1-[2-[[3-hydroxy-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanoate.
Chemical Property Profile of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate
Property Insights of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate
The XLogP value of -1.9 indicates that Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate?
The CAS number of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate is 41863-57-4.
What is the molecular formula of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate?
The molecular formula of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate is C30H44N6O12.
What is the molecular weight of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate?
The molecular weight of Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate is 680.30 g/mol.
Where can I buy Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate?
You can request a quote for Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-((benzyloxy)carbonyl)threonylserylglycylprolylalanylthreoninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.