利福布汀
TL;DR: 利福布汀 (CAS 72559-06-9) is a chemical compound with molecular formula C46H62N4O11 and molecular weight 846.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
利福布汀
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
Also Known As: RIFABUTIN
| Molecular Formula | C46H62N4O11 |
|---|---|
| Molecular Weight | 846.44 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 846.4415 |
| Heavy Atoms | 61 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 72559-06-9 |
|---|---|
| SMILES | C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C |
| InChIKey | AZFBLLCNOQPJGJ-OZFKZPMASA-N |
Product Overview
利福布汀 (CAS 72559-06-9), with molecular formula C46H62N4O11 and molecular weight 846.44 g/mol. IUPAC: [(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate.
Chemical Property Profile of 利福布汀
Property Insights of 利福布汀
The XLogP value of 5.6 indicates that 利福布汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting 利福布汀 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 利福布汀 has 5 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 利福布汀?
The CAS number of 利福布汀 is 72559-06-9.
What is the molecular formula of 利福布汀?
The molecular formula of 利福布汀 is C46H62N4O11.
What is the molecular weight of 利福布汀?
The molecular weight of 利福布汀 is 846.44 g/mol.
Where can I buy 利福布汀?
You can request a quote for 利福布汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 利福布汀?
Yes, KEHONG BIO provides custom synthesis services for 利福布汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.