SQ 28517
TL;DR: SQ 28517 (CAS 92131-67-4) is a chemical compound with molecular formula C36H56N12O14S and molecular weight 912.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(5-acetamido-6-amino-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
Also Known As: SQ 28517, 7-[(5-acetamido-6-amino-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)-6-amino-1,6-dioxohexyl)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 | C36H56N12O14S |
|---|---|
| Molecular Weight | 912.38 g/mol |
| LogP | -5.6744 |
| Topological Polar Surface Area | 415.33 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Exact Mass | 912.376 |
| Heavy Atoms | 63 |
| Complexity | 1859.9445 |
Chemical Identifiers
| CAS Number | 92131-67-4 |
|---|---|
| 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)N)NC(=O)C)SC1)C(=O)O)O |
Product Overview
SQ 28517 (CAS 92131-67-4), with molecular formula C36H56N12O14S and molecular weight 912.38 g/mol. IUPAC: 7-[(5-acetamido-6-amino-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.
Chemical Property Profile of SQ 28517
Property Insights of SQ 28517
The XLogP value of -5.6744 indicates that SQ 28517 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 415.33 Ų indicates high polarity, suggesting SQ 28517 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 28517 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 28517?
The CAS number of SQ 28517 is 92131-67-4.
What is the molecular formula of SQ 28517?
The molecular formula of SQ 28517 is C36H56N12O14S.
What is the molecular weight of SQ 28517?
The molecular weight of SQ 28517 is 912.38 g/mol.
Where can I buy SQ 28517?
You can request a quote for SQ 28517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 28517?
Yes, KEHONG BIO provides custom synthesis services for SQ 28517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.