DN 9550
TL;DR: DN 9550 (CAS 96902-44-2) is a chemical compound with molecular formula C22H21ClN8O5S2 and molecular weight 576.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride
Also Known As: DN 9550, 7-(2-(2-Aminothiazol-4-yl)-2-(1H-imidazol-4-yl)methoxyiminoacetamido)-3-((1-pyridinio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate hcl, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride, Pyridinium, 1-((7-(((2-amino-4-thiazolyl)((1H-imidazol-4-ylmethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, monohydrochloride, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C22H21ClN8O5S2 |
|---|---|
| Molecular Weight | 576.08 g/mol |
| LogP | -2.9004 |
| Topological Polar Surface Area | 179.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.0765 |
| Heavy Atoms | 38 |
| Complexity | 1395.6266 |
Chemical Identifiers
| CAS Number | 96902-44-2 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC3=CN=CN3)/C4=CSC(=N4)N)C(=O)O)C[N+]5=CC=CC=C5.[Cl-] |
Product Overview
DN 9550 (CAS 96902-44-2), with molecular formula C22H21ClN8O5S2 and molecular weight 576.08 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1H-imidazol-5-ylmethoxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride.
Chemical Property Profile of DN 9550
Property Insights of DN 9550
The XLogP value of -2.9004 indicates that DN 9550 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.77 Ų indicates high polarity, suggesting DN 9550 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DN 9550 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DN 9550?
The CAS number of DN 9550 is 96902-44-2.
What is the molecular formula of DN 9550?
The molecular formula of DN 9550 is C22H21ClN8O5S2.
What is the molecular weight of DN 9550?
The molecular weight of DN 9550 is 576.08 g/mol.
Where can I buy DN 9550?
You can request a quote for DN 9550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DN 9550?
Yes, KEHONG BIO provides custom synthesis services for DN 9550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.