ME 1228
TL;DR: ME 1228 (CAS 115369-52-3) is a chemical compound with molecular formula C23H24N6O7S3 and molecular weight 592.09 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-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-ethylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: ME 1228, Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxyethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-ethyl-, hydroxide, inner salt, (6R-(6-alpha,7-beta(Z(S*))))-, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-ethylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)((1-carboxyethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-ethyl-, hydroxide, inner salt, (6R-(6alpha,7beta(Z(S*))))-, Pyridinium, 4-[[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)[[(1S)-1-carboxyethoxy]imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-ethyl-, inner salt
| Molecular Formula | C23H24N6O7S3 |
|---|---|
| Molecular Weight | 592.09 g/mol |
| LogP | -0.5773 |
| Topological Polar Surface Area | 191.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 592.08685 |
| Heavy Atoms | 39 |
| Complexity | 1360.1715 |
Chemical Identifiers
| CAS Number | 115369-52-3 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/O[C@@H](C)C(=O)O)/C4=CSC(=N4)N)SC2)C(=O)[O-] |
Product Overview
ME 1228 (CAS 115369-52-3), with molecular formula C23H24N6O7S3 and molecular weight 592.09 g/mol. IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-ethylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of ME 1228
Property Insights of ME 1228
The XLogP value of -0.5773 indicates that ME 1228 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.22 Ų indicates high polarity, suggesting ME 1228 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ME 1228 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ME 1228?
The CAS number of ME 1228 is 115369-52-3.
What is the molecular formula of ME 1228?
The molecular formula of ME 1228 is C23H24N6O7S3.
What is the molecular weight of ME 1228?
The molecular weight of ME 1228 is 592.09 g/mol.
Where can I buy ME 1228?
You can request a quote for ME 1228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME 1228?
Yes, KEHONG BIO provides custom synthesis services for ME 1228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.