Sankei
TL;DR: Sankei (CAS 115761-49-4) is a chemical compound with molecular formula C31H27N11Na2O11S3 and molecular weight 871.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[(2-carboxylato-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Sankei, SR 1024, Ro 09-1227, Ro-09-1227, 7-(((-7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio-5-methyl)-(1,2,4)triazolo(1,5-1)pyrimidine-2-carboxylic acid
| Molecular Formula | C31H27N11Na2O11S3 |
|---|---|
| Molecular Weight | 871.08 g/mol |
| LogP | -8.58918 |
| Topological Polar Surface Area | 331.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 871.0849 |
| Heavy Atoms | 58 |
| Complexity | 2406.326 |
Chemical Identifiers
| CAS Number | 115761-49-4 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
Product Overview
Sankei (CAS 115761-49-4), with molecular formula C31H27N11Na2O11S3 and molecular weight 871.08 g/mol. IUPAC: disodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[(2-carboxylato-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Sankei
Property Insights of Sankei
The XLogP value of -8.58918 indicates that Sankei is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.91 Ų indicates high polarity, suggesting Sankei may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sankei has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sankei?
The CAS number of Sankei is 115761-49-4.
What is the molecular formula of Sankei?
The molecular formula of Sankei is C31H27N11Na2O11S3.
What is the molecular weight of Sankei?
The molecular weight of Sankei is 871.08 g/mol.
Where can I buy Sankei?
You can request a quote for Sankei directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sankei?
Yes, KEHONG BIO provides custom synthesis services for Sankei and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.