Rifarubin S
TL;DR: Rifarubin S (CAS 17555-58-7) is a chemical compound with molecular formula C36H43NO10 and molecular weight 649.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-2-[(2R,3S,4S,5E,7Z)-3-hydroxy-9-[(5-hydroxy-2,4-dimethyl-6,9-dioxobenzo[e][1]benzofuran-7-yl)amino]-4,8-dimethyl-9-oxonona-5,7-dien-2-yl]-3,5-dimethyl-6-(2-oxoethyl)oxan-4-yl] acetate
Also Known As: Rifarubin S, Rifarubin A, Rifamycin S analog, Silane (1,4-phenylenedimethanetetrayl)hexakis-, 2,4-Nonadienamide, N-(4-(acetyloxy)tetrahydro-3,5-dimethyl-6-(2-oxoethyl)-2H-pyran-2-yl)-N-(6,9-dihydro-5-hydroxy-2,4-dimethyl-6,9-dioxonaphtho(2,1-b)furan-7-yl)-7-hydroxy-2,6-dimethyl-
| Molecular Formula | C36H43NO10 |
|---|---|
| Molecular Weight | 649.29 g/mol |
| LogP | 4.83024 |
| Topological Polar Surface Area | 169.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 649.2887 |
| Heavy Atoms | 47 |
| Complexity | 1694.6814 |
Chemical Identifiers
| CAS Number | 17555-58-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@@H](C(O[C@@H]1[C@H](C)[C@H]([C@@H](C)/C=C/C=C(/C)\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C=C(O4)C)C)O)O)CC=O)C)OC(=O)C |
Product Overview
Rifarubin S (CAS 17555-58-7), with molecular formula C36H43NO10 and molecular weight 649.29 g/mol. IUPAC: [(2R,3R,4R,5R)-2-[(2R,3S,4S,5E,7Z)-3-hydroxy-9-[(5-hydroxy-2,4-dimethyl-6,9-dioxobenzo[e][1]benzofuran-7-yl)amino]-4,8-dimethyl-9-oxonona-5,7-dien-2-yl]-3,5-dimethyl-6-(2-oxoethyl)oxan-4-yl] acetate.
Chemical Property Profile of Rifarubin S
Property Insights of Rifarubin S
The XLogP value of 4.83024 indicates that Rifarubin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.44 Ų indicates high polarity, suggesting Rifarubin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifarubin S has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rifarubin S?
The CAS number of Rifarubin S is 17555-58-7.
What is the molecular formula of Rifarubin S?
The molecular formula of Rifarubin S is C36H43NO10.
What is the molecular weight of Rifarubin S?
The molecular weight of Rifarubin S is 649.29 g/mol.
Where can I buy Rifarubin S?
You can request a quote for Rifarubin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifarubin S?
Yes, KEHONG BIO provides custom synthesis services for Rifarubin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.