U 67827E
TL;DR: U 67827E (CAS 103494-23-1) is a chemical compound with molecular formula C53H68N10O17S and molecular weight 1148.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
Also Known As: U 67827E, U-67827E, N-Ac-Asp-tyr(So3H)-nle-gly-trp-nle-asp-phe-NH2, N-Acetyl-aspartyl-O-sulfo-tyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalaninamide, (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C53H68N10O17S |
|---|---|
| Molecular Weight | 1148.45 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 438.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 33 |
| Exact Mass | 1148.4485 |
| Heavy Atoms | 81 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 103494-23-1 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)N |
| InChIKey | ZHHFQNRAURWBFX-TZLMNZOISA-N |
Product Overview
U 67827E (CAS 103494-23-1), with molecular formula C53H68N10O17S and molecular weight 1148.45 g/mol. IUPAC: (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of U 67827E
Property Insights of U 67827E
The XLogP value of -0.9 indicates that U 67827E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 438.0 Ų indicates high polarity, suggesting U 67827E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, U 67827E has 13 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of U 67827E?
The CAS number of U 67827E is 103494-23-1.
What is the molecular formula of U 67827E?
The molecular formula of U 67827E is C53H68N10O17S.
What is the molecular weight of U 67827E?
The molecular weight of U 67827E is 1148.45 g/mol.
Where can I buy U 67827E?
You can request a quote for U 67827E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 67827E?
Yes, KEHONG BIO provides custom synthesis services for U 67827E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.