SQ 28546
TL;DR: SQ 28546 (CAS 96828-00-1) is a chemical compound with molecular formula C43H73N9O27S and molecular weight 1179.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
Also Known As: SQ 28546, 4-[[2-[[3-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid, 4-[[2-[[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
| Molecular Formula | C43H73N9O27S |
|---|---|
| Molecular Weight | 1179.43 g/mol |
| LogP | -11.299 |
| Topological Polar Surface Area | 578.71 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 32 |
| Exact Mass | 1179.4337 |
| Heavy Atoms | 80 |
| Complexity | 2239.5117 |
Chemical Identifiers
| CAS Number | 96828-00-1 |
|---|---|
| SMILES | CC(C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CC(C(N1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OS(=O)(=O)O)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C |
Product Overview
SQ 28546 (CAS 96828-00-1), with molecular formula C43H73N9O27S and molecular weight 1179.43 g/mol. IUPAC: 4-[[2-[[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[2-[[4-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid.
Chemical Property Profile of SQ 28546
Property Insights of SQ 28546
The XLogP value of -11.299 indicates that SQ 28546 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 578.71 Ų indicates high polarity, suggesting SQ 28546 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 28546 has 20 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 28546?
The CAS number of SQ 28546 is 96828-00-1.
What is the molecular formula of SQ 28546?
The molecular formula of SQ 28546 is C43H73N9O27S.
What is the molecular weight of SQ 28546?
The molecular weight of SQ 28546 is 1179.43 g/mol.
Where can I buy SQ 28546?
You can request a quote for SQ 28546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 28546?
Yes, KEHONG BIO provides custom synthesis services for SQ 28546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.