N-Desisobutyl-N-propyl Rifabutin
TL;DR: N-Desisobutyl-N-propyl Rifabutin (CAS 75903-10-5) is a chemical compound with molecular formula C45H60N4O11 and molecular weight 832.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-1'-propylspiro[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: N-Desisobutyl-N-propyl Rifabutin, [(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-1'-propylspiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate
| Molecular Formula | C45H60N4O11 |
|---|---|
| Molecular Weight | 832.43 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 832.42584 |
| Heavy Atoms | 60 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 75903-10-5 |
|---|---|
| SMILES | CCCN1CCC2(CC1)N=C3C4=C5C(=C(C6=C4C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5O)C3=N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O |
| InChIKey | HEBPDPKBORJVAA-CTRLBJGESA-N |
Product Overview
N-Desisobutyl-N-propyl Rifabutin (CAS 75903-10-5), with molecular formula C45H60N4O11 and molecular weight 832.43 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-6,23-dioxo-1'-propylspiro[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 N-Desisobutyl-N-propyl Rifabutin
Property Insights of N-Desisobutyl-N-propyl Rifabutin
The XLogP value of 5.2 indicates that N-Desisobutyl-N-propyl Rifabutin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Desisobutyl-N-propyl Rifabutin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Desisobutyl-N-propyl Rifabutin 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 N-Desisobutyl-N-propyl Rifabutin?
The CAS number of N-Desisobutyl-N-propyl Rifabutin is 75903-10-5.
What is the molecular formula of N-Desisobutyl-N-propyl Rifabutin?
The molecular formula of N-Desisobutyl-N-propyl Rifabutin is C45H60N4O11.
What is the molecular weight of N-Desisobutyl-N-propyl Rifabutin?
The molecular weight of N-Desisobutyl-N-propyl Rifabutin is 832.43 g/mol.
Where can I buy N-Desisobutyl-N-propyl Rifabutin?
You can request a quote for N-Desisobutyl-N-propyl Rifabutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desisobutyl-N-propyl Rifabutin?
Yes, KEHONG BIO provides custom synthesis services for N-Desisobutyl-N-propyl Rifabutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.