RefChem:1099907
TL;DR: RefChem:1099907 (CAS 128401-52-5) is a chemical compound with molecular formula C17H18N6O9S4 and molecular weight 578.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(1,3-thiazol-3-ium-3-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate
Also Known As: Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, (6R-(6-alpha,7-beta(Z)))-, sulfate (1:1) (Salt), Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, (6R-(6alpha,7beta(Z)))-, sulfate (1:1), RefChem:1099907
| Molecular Formula | C17H18N6O9S4 |
|---|---|
| Molecular Weight | 578.00 g/mol |
| LogP | -1.1318 |
| Topological Polar Surface Area | 228.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.00183 |
| Heavy Atoms | 36 |
| Complexity | 1313.8198 |
Chemical Identifiers
| CAS Number | 128401-52-5 |
|---|---|
| SMILES | CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CSC=C4)C(=O)O.OS(=O)(=O)[O-] |
Product Overview
RefChem:1099907 (CAS 128401-52-5), with molecular formula C17H18N6O9S4 and molecular weight 578.00 g/mol. IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(1,3-thiazol-3-ium-3-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate.
Chemical Property Profile of RefChem:1099907
Property Insights of RefChem:1099907
The XLogP value of -1.1318 indicates that RefChem:1099907 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.52 Ų indicates high polarity, suggesting RefChem:1099907 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1099907 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1099907?
The CAS number of RefChem:1099907 is 128401-52-5.
What is the molecular formula of RefChem:1099907?
The molecular formula of RefChem:1099907 is C17H18N6O9S4.
What is the molecular weight of RefChem:1099907?
The molecular weight of RefChem:1099907 is 578.00 g/mol.
Where can I buy RefChem:1099907?
You can request a quote for RefChem:1099907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099907?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.