5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-
TL;DR: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- (CAS 66242-83-9) is a chemical compound with molecular formula C18H15N7Na2O8S3 and molecular weight 598.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(6R,7R)-7-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-, disodium (6R,7R)-7-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C18H15N7Na2O8S3 |
|---|---|
| Molecular Weight | 598.99 g/mol |
| LogP | -8.4417 |
| Topological Polar Surface Area | 222.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.99396 |
| Heavy Atoms | 38 |
| Complexity | 1387.2755 |
Chemical Identifiers
| CAS Number | 66242-83-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CC=CC=C3)C(=O)[O-])CSC4=NN=NN4CS(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- (CAS 66242-83-9), with molecular formula C18H15N7Na2O8S3 and molecular weight 598.99 g/mol. IUPAC: disodium;(6R,7R)-7-[[(2Z)-2-hydroxyimino-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfonatomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-
Property Insights of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-
The XLogP value of -8.4417 indicates that 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.93 Ų indicates high polarity, suggesting 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-?
The CAS number of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- is 66242-83-9.
What is the molecular formula of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-?
The molecular formula of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- is C18H15N7Na2O8S3.
What is the molecular weight of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-?
The molecular weight of 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- is 598.99 g/mol.
Where can I buy 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-?
You can request a quote for 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]-?
Yes, KEHONG BIO provides custom synthesis services for 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(hydroxyimino)phenylacetyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-, disodium salt, [6R-[6I+/-,7I(2)(Z)]]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.