Rifandin
TL;DR: Rifandin (CAS 89499-17-2) is a chemical compound with molecular formula C45H63N3O12 and molecular weight 837.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[4-(2-methylpropyl)piperazin-1-yl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate
Also Known As: Rifandin, Rifamdin, 3-(4-Isobutyl-1-piperazinyl)rifamycin, Isobutylpiperazinylrifamycin SV, R 76-1
| Molecular Formula | C45H63N3O12 |
|---|---|
| Molecular Weight | 837.44 g/mol |
| LogP | 5.53212 |
| Topological Polar Surface Area | 207.79 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 837.44116 |
| Heavy Atoms | 60 |
| Complexity | 2054.159 |
Chemical Identifiers
| CAS Number | 89499-17-2 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=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)C(=C2N5CCN(CC5)CC(C)C)O)O)/C |
Product Overview
Rifandin (CAS 89499-17-2), with molecular formula C45H63N3O12 and molecular weight 837.44 g/mol. IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[4-(2-methylpropyl)piperazin-1-yl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate.
Chemical Property Profile of Rifandin
Property Insights of Rifandin
The XLogP value of 5.53212 indicates that Rifandin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.79 Ų indicates high polarity, suggesting Rifandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifandin has 6 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 Rifandin?
The CAS number of Rifandin is 89499-17-2.
What is the molecular formula of Rifandin?
The molecular formula of Rifandin is C45H63N3O12.
What is the molecular weight of Rifandin?
The molecular weight of Rifandin is 837.44 g/mol.
Where can I buy Rifandin?
You can request a quote for Rifandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifandin?
Yes, KEHONG BIO provides custom synthesis services for Rifandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.