Shu 9119
TL;DR: Shu 9119 (CAS 168482-23-3) is a chemical compound with molecular formula C54H71N15O9 and molecular weight 1073.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-N-[(3S,6S,13E)-14-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(2,3-dihydro-1H-indol-3-yl)propanoyl]amino]-3-(4H-imidazol-4-ylmethyl)-2,5,8,15-tetraoxo-1,4,9-triazacyclopentadec-13-en-6-yl]hexanamide
Also Known As: Shu 9119, SHU-9119?, SID:134224420, 2(3H)-Furanone,dihydro-4-(1-pyrrolidinyl), Acetyl-(Nle4,Asp5,D-2-Nal7,Lys10)-cyclo-alpha-MSH (4-10) amide
| Molecular Formula | C54H71N15O9 |
|---|---|
| Molecular Weight | 1073.56 g/mol |
| LogP | -0.1889 |
| Topological Polar Surface Area | 377.04 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 1073.5559 |
| Heavy Atoms | 78 |
| Complexity | 2800.756 |
Chemical Identifiers
| CAS Number | 168482-23-3 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCC/C=C(\C(=O)NC(=O)[C@@H](NC1=O)CC2C=NC=N2)/NC(=O)[C@H](CC3CNC4=CC=CC=C34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)N)NC(=O)C |
Product Overview
Shu 9119 (CAS 168482-23-3), with molecular formula C54H71N15O9 and molecular weight 1073.56 g/mol. IUPAC: (2S)-2-acetamido-N-[(3S,6S,13E)-14-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(2,3-dihydro-1H-indol-3-yl)propanoyl]amino]-3-(4H-imidazol-4-ylmethyl)-2,5,8,15-tetraoxo-1,4,9-triazacyclopentadec-13-en-6-yl]hexanamide.
Chemical Property Profile of Shu 9119
Property Insights of Shu 9119
The XLogP value of -0.1889 indicates that Shu 9119 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 377.04 Ų indicates high polarity, suggesting Shu 9119 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Shu 9119 has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Shu 9119?
The CAS number of Shu 9119 is 168482-23-3.
What is the molecular formula of Shu 9119?
The molecular formula of Shu 9119 is C54H71N15O9.
What is the molecular weight of Shu 9119?
The molecular weight of Shu 9119 is 1073.56 g/mol.
Where can I buy Shu 9119?
You can request a quote for Shu 9119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shu 9119?
Yes, KEHONG BIO provides custom synthesis services for Shu 9119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.