Ixabepilone
TL;DR: Ixabepilone (CAS 219989-84-1) is a chemical compound with molecular formula C27H42N2O5S and molecular weight 506.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
Also Known As: Ixabepilone, Ixempra, (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
| Molecular Formula | C27H42N2O5S |
|---|---|
| Molecular Weight | 506.28 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 506.28143 |
| Heavy Atoms | 35 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 219989-84-1 |
|---|---|
| SMILES | C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C |
| InChIKey | FABUFPQFXZVHFB-DIZZFTFVSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ixabepilone (CAS 219989-84-1), with molecular formula C27H42N2O5S and molecular weight 506.28 g/mol. IUPAC: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione.
Chemical Property Profile of Ixabepilone
Property Insights of Ixabepilone
The XLogP value of 3.6 indicates that Ixabepilone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Ixabepilone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ixabepilone has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ixabepilone?
The CAS number of Ixabepilone is 219989-84-1.
What is the molecular formula of Ixabepilone?
The molecular formula of Ixabepilone is C27H42N2O5S.
What is the molecular weight of Ixabepilone?
The molecular weight of Ixabepilone is 506.28 g/mol.
Where can I buy Ixabepilone?
You can request a quote for Ixabepilone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ixabepilone?
Yes, KEHONG BIO provides custom synthesis services for Ixabepilone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.