Pristinamycin IB
TL;DR: Pristinamycin IB (CAS 57206-54-9) is a chemical compound with molecular formula C44H52N8O10 and molecular weight 852.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-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: Pristinamycin IB, Efepristin, Vernamycin B beta, Efepristin [INN], Ostreogrycin B2 ; Efepristin
| Molecular Formula | C44H52N8O10 |
|---|---|
| Molecular Weight | 852.38 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 852.3806 |
| Heavy Atoms | 62 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 57206-54-9 |
|---|---|
| SMILES | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)NC)C |
| InChIKey | PCOXSOQWQVRJCH-UHFFFAOYSA-N |
Product Overview
Pristinamycin IB (CAS 57206-54-9), with molecular formula C44H52N8O10 and molecular weight 852.38 g/mol. IUPAC: N-[12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-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 Pristinamycin IB
Property Insights of Pristinamycin IB
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pristinamycin IB. The TPSA of 237.0 Ų indicates high polarity, suggesting Pristinamycin IB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pristinamycin IB has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pristinamycin IB?
The CAS number of Pristinamycin IB is 57206-54-9.
What is the molecular formula of Pristinamycin IB?
The molecular formula of Pristinamycin IB is C44H52N8O10.
What is the molecular weight of Pristinamycin IB?
The molecular weight of Pristinamycin IB is 852.38 g/mol.
Where can I buy Pristinamycin IB?
You can request a quote for Pristinamycin IB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pristinamycin IB?
Yes, KEHONG BIO provides custom synthesis services for Pristinamycin IB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.