SQ 28516
TL;DR: SQ 28516 (CAS 92121-46-5) is a chemical compound with molecular formula C36H55N11O15S and molecular weight 913.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(5-acetamido-5-carboxypentanoyl)amino]-3-[[4-[[(2S)-1-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-1-oxopropan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: SQ 28516, 7-[(5-acetamido-5-carboxypentanoyl)amino]-3-[[4-[[(2S)-1-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-1-oxopropan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(5-acetamido-6-hydroxy-6-oxohexanoyl)amino]-3-[[4-[[(2S)-1-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-1-oxopropan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-N-(4-((7-((5-(acetylamino)-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminomethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-
| Molecular Formula | C36H55N11O15S |
|---|---|
| Molecular Weight | 913.36 g/mol |
| LogP | -5.0751 |
| Topological Polar Surface Area | 409.54 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Exact Mass | 913.36 |
| Heavy Atoms | 63 |
| Complexity | 1859.6099 |
Chemical Identifiers
| CAS Number | 92121-46-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C)NC(CCCN=C(N)N)C(CC(=O)OCC1=C(N2C(C(C2=O)(NC=O)NC(=O)CCCC(C(=O)O)NC(=O)C)SC1)C(=O)O)O |
Product Overview
SQ 28516 (CAS 92121-46-5), with molecular formula C36H55N11O15S and molecular weight 913.36 g/mol. IUPAC: 7-[(5-acetamido-5-carboxypentanoyl)amino]-3-[[4-[[(2S)-1-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-1-oxopropan-2-yl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of SQ 28516
Property Insights of SQ 28516
The XLogP value of -5.0751 indicates that SQ 28516 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 409.54 Ų indicates high polarity, suggesting SQ 28516 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 28516 has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 28516?
The CAS number of SQ 28516 is 92121-46-5.
What is the molecular formula of SQ 28516?
The molecular formula of SQ 28516 is C36H55N11O15S.
What is the molecular weight of SQ 28516?
The molecular weight of SQ 28516 is 913.36 g/mol.
Where can I buy SQ 28516?
You can request a quote for SQ 28516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 28516?
Yes, KEHONG BIO provides custom synthesis services for SQ 28516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.