Ued5CR9hxg
TL;DR: Ued5CR9hxg (CAS 211049-23-9) is a chemical compound with molecular formula C55H79N11O12 and molecular weight 1085.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
Also Known As: Leu-Leu-Thr-Phe-Trp-Asn-Pro-Pro-Val, EP-2101 component Leu-Leu-Thr-Phe-Trp-Asn-Pro-Pro-Val, Cea.24v9 t-cell antigen (Leu-Leu-Thr-Phe-Trp-Asn-Pro-Pro-Val), L-Leucyl-L-leucyl-L-threonyl-L-phenylalanyl-L-tryptophyl-L-asparaginyl-L-prolyl-L-prolyl-L-valine, L-Valine, L-leucyl-L-leucyl-L-threonyl-L-phenylalanyl-L-tryptophyl-L-asparaginyl-L-prolyl-L-prolyl-
| Molecular Formula | C55H79N11O12 |
|---|---|
| Molecular Weight | 1085.59 g/mol |
| LogP | 0.2602 |
| Topological Polar Surface Area | 357.65 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Exact Mass | 1085.591 |
| Heavy Atoms | 78 |
| Complexity | 2623.007 |
Chemical Identifiers
| CAS Number | 211049-23-9 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N)O |
Product Overview
Ued5CR9hxg (CAS 211049-23-9), with molecular formula C55H79N11O12 and molecular weight 1085.59 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of Ued5CR9hxg
Property Insights of Ued5CR9hxg
The XLogP value of 0.2602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ued5CR9hxg. The TPSA of 357.65 Ų indicates high polarity, suggesting Ued5CR9hxg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ued5CR9hxg has 11 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 Ued5CR9hxg?
The CAS number of Ued5CR9hxg is 211049-23-9.
What is the molecular formula of Ued5CR9hxg?
The molecular formula of Ued5CR9hxg is C55H79N11O12.
What is the molecular weight of Ued5CR9hxg?
The molecular weight of Ued5CR9hxg is 1085.59 g/mol.
Where can I buy Ued5CR9hxg?
You can request a quote for Ued5CR9hxg directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ued5CR9hxg?
Yes, KEHONG BIO provides custom synthesis services for Ued5CR9hxg and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.