SQ 20858
TL;DR: SQ 20858 (CAS 35115-62-9) is a chemical compound with molecular formula C57H77N15O14 and molecular weight 1195.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Also Known As: Bpp 9a, SQ 20858, SQ 20,858, SQ-20,858, Pyr-Asn-Trp-Pro-His-Pro-Gln-Ile-Pro-Pro
| Molecular Formula | C57H77N15O14 |
|---|---|
| Molecular Weight | 1195.58 g/mol |
| LogP | -2.3856 |
| Topological Polar Surface Area | 423.79 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 1195.5774 |
| Heavy Atoms | 86 |
| Complexity | 3077.8418 |
Chemical Identifiers
| CAS Number | 35115-62-9 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC(=O)N)NC(=O)C8CCC(=O)N8 |
Product Overview
SQ 20858 (CAS 35115-62-9), with molecular formula C57H77N15O14 and molecular weight 1195.58 g/mol. IUPAC: (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of SQ 20858
Property Insights of SQ 20858
The XLogP value of -2.3856 indicates that SQ 20858 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 423.79 Ų indicates high polarity, suggesting SQ 20858 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 20858 has 11 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 SQ 20858?
The CAS number of SQ 20858 is 35115-62-9.
What is the molecular formula of SQ 20858?
The molecular formula of SQ 20858 is C57H77N15O14.
What is the molecular weight of SQ 20858?
The molecular weight of SQ 20858 is 1195.58 g/mol.
Where can I buy SQ 20858?
You can request a quote for SQ 20858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 20858?
Yes, KEHONG BIO provides custom synthesis services for SQ 20858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.