Moxalactam diammonium
TL;DR: Moxalactam diammonium (CAS 77121-76-7) is a chemical compound with molecular formula C20H26N8O9S and molecular weight 554.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Moxalactam diammonium, Diammonium salt of moxalactam, 5-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diammonium salt, (6R-(6alpha,7alpha,7(R*)))-, (6R,7R)-7-{[(2R)-2-Carboxy-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--ammonia (1/2), 7-{[2-Carboxy-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--ammonia (1/2)
| Molecular Formula | C20H26N8O9S |
|---|---|
| Molecular Weight | 554.15 g/mol |
| LogP | -0.8037 |
| Topological Polar Surface Area | 276.3 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.15436 |
| Heavy Atoms | 38 |
| Complexity | 1267.4379 |
Chemical Identifiers
| CAS Number | 77121-76-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O.N.N |
Product Overview
Moxalactam diammonium (CAS 77121-76-7), with molecular formula C20H26N8O9S and molecular weight 554.15 g/mol. IUPAC: azane;(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Moxalactam diammonium
Property Insights of Moxalactam diammonium
The XLogP value of -0.8037 indicates that Moxalactam diammonium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.3 Ų indicates high polarity, suggesting Moxalactam diammonium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Moxalactam diammonium has 6 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 Moxalactam diammonium?
The CAS number of Moxalactam diammonium is 77121-76-7.
What is the molecular formula of Moxalactam diammonium?
The molecular formula of Moxalactam diammonium is C20H26N8O9S.
What is the molecular weight of Moxalactam diammonium?
The molecular weight of Moxalactam diammonium is 554.15 g/mol.
Where can I buy Moxalactam diammonium?
You can request a quote for Moxalactam diammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moxalactam diammonium?
Yes, KEHONG BIO provides custom synthesis services for Moxalactam diammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.