SQ 28504
TL;DR: SQ 28504 (CAS 96827-99-5) is a chemical compound with molecular formula C35H61N7O22S and molecular weight 963.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid
Also Known As: SQ 28504, (2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxy-oxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-amino-, (2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohe, (2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid
| Molecular Formula | C35H61N7O22S |
|---|---|
| Molecular Weight | 963.36 g/mol |
| LogP | -9.1257 |
| Topological Polar Surface Area | 462.98 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Exact Mass | 963.359 |
| Heavy Atoms | 65 |
| Complexity | 1735.2699 |
Chemical Identifiers
| CAS Number | 96827-99-5 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C[C@H](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 28504 (CAS 96827-99-5), with molecular formula C35H61N7O22S and molecular weight 963.36 g/mol. IUPAC: (2S)-2-[[(2S,3R)-3-[(2R,3S,4R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S)-2-[[(2S,4R)-4-[(2R,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]-6-aminohexanoyl]amino]butanoyl]amino]-3-hydroxypropanoic acid.
Chemical Property Profile of SQ 28504
Property Insights of SQ 28504
The XLogP value of -9.1257 indicates that SQ 28504 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 462.98 Ų indicates high polarity, suggesting SQ 28504 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 28504 has 16 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 28504?
The CAS number of SQ 28504 is 96827-99-5.
What is the molecular formula of SQ 28504?
The molecular formula of SQ 28504 is C35H61N7O22S.
What is the molecular weight of SQ 28504?
The molecular weight of SQ 28504 is 963.36 g/mol.
Where can I buy SQ 28504?
You can request a quote for SQ 28504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 28504?
Yes, KEHONG BIO provides custom synthesis services for SQ 28504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.