Chemical Compound (C31H31N11O10S3)
TL;DR: Chemical Compound (C31H31N11O10S3) (CAS 134452-47-4) is a chemical compound with molecular formula C31H31N11O10S3 and molecular weight 813.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[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-(hydroxymethyl)-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-carboxylic acid
| Molecular Formula | C31H31N11O10S3 |
|---|---|
| Molecular Weight | 813.14 g/mol |
| LogP | -0.13368 |
| Topological Polar Surface Area | 309.18 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 813.1417 |
| Heavy Atoms | 55 |
| Complexity | 2307.6033 |
Chemical Identifiers
| CAS Number | 134452-47-4 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)C6=CSC(=N6)N)SC3)C(=O)O)CO |
Product Overview
Chemical Compound (C31H31N11O10S3) (CAS 134452-47-4), with molecular formula C31H31N11O10S3 and molecular weight 813.14 g/mol. IUPAC: 7-[[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-(hydroxymethyl)-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-carboxylic acid.
Chemical Property Profile of Chemical Compound (C31H31N11O10S3)
Property Insights of Chemical Compound (C31H31N11O10S3)
The XLogP value of -0.13368 indicates that Chemical Compound (C31H31N11O10S3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.18 Ų indicates high polarity, suggesting Chemical Compound (C31H31N11O10S3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C31H31N11O10S3) has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chemical Compound (C31H31N11O10S3)?
The CAS number of Chemical Compound (C31H31N11O10S3) is 134452-47-4.
What is the molecular formula of Chemical Compound (C31H31N11O10S3)?
The molecular formula of Chemical Compound (C31H31N11O10S3) is C31H31N11O10S3.
What is the molecular weight of Chemical Compound (C31H31N11O10S3)?
The molecular weight of Chemical Compound (C31H31N11O10S3) is 813.14 g/mol.
Where can I buy Chemical Compound (C31H31N11O10S3)?
You can request a quote for Chemical Compound (C31H31N11O10S3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C31H31N11O10S3)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C31H31N11O10S3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.