C53H67N9O10S
TL;DR: C53H67N9O10S (CAS 120138-50-3) is a chemical compound with molecular formula C53H67N9O10S and molecular weight 1021.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[25-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Also Known As: Quinupristin, Quinupristina, Quinupristine, Quinupristinum, Antibiotic RP 57669
| Molecular Formula | C53H67N9O10S |
|---|---|
| Molecular Weight | 1021.47 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 1021.47314 |
| Heavy Atoms | 73 |
| Complexity | 2010.0 |
Chemical Identifiers
| CAS Number | 120138-50-3 |
|---|---|
| SMILES | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CSC6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C |
| InChIKey | WTHRRGMBUAHGNI-UHFFFAOYSA-N |
Product Overview
C53H67N9O10S (CAS 120138-50-3), with molecular formula C53H67N9O10S and molecular weight 1021.47 g/mol. IUPAC: N-[25-(1-azabicyclo[2.2.2]octan-3-ylsulfanylmethyl)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide.
Chemical Property Profile of C53H67N9O10S
Property Insights of C53H67N9O10S
The XLogP value of 4.2 indicates that C53H67N9O10S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 257.0 Ų indicates high polarity, suggesting C53H67N9O10S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C53H67N9O10S has 4 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 C53H67N9O10S?
The CAS number of C53H67N9O10S is 120138-50-3.
What is the molecular formula of C53H67N9O10S?
The molecular formula of C53H67N9O10S is C53H67N9O10S.
What is the molecular weight of C53H67N9O10S?
The molecular weight of C53H67N9O10S is 1021.47 g/mol.
Where can I buy C53H67N9O10S?
You can request a quote for C53H67N9O10S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C53H67N9O10S?
Yes, KEHONG BIO provides custom synthesis services for C53H67N9O10S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.