Ixabepilone Impurity 3
TL;DR: Ixabepilone Impurity 3 (CAS 219989-85-2) is a chemical compound with molecular formula C26H40N2O5S and molecular weight 492.27 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-tetramethyl-3-[(E)-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 Impurity 3, N0001-008741
| Molecular Formula | C26H40N2O5S |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 3.66042 |
| Topological Polar Surface Area | 112.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.2658 |
| Heavy Atoms | 34 |
| Complexity | 910.75726 |
Chemical Identifiers
| CAS Number | 219989-85-2 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H]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(=C/C3=CSC(=N3)C)/C |
Product Overview
Ixabepilone Impurity 3 (CAS 219989-85-2), with molecular formula C26H40N2O5S and molecular weight 492.27 g/mol. IUPAC: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-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 Impurity 3
Property Insights of Ixabepilone Impurity 3
The XLogP value of 3.66042 indicates that Ixabepilone Impurity 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ixabepilone Impurity 3. Following Lipinski's Rule of Five, Ixabepilone Impurity 3 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ixabepilone Impurity 3?
The CAS number of Ixabepilone Impurity 3 is 219989-85-2.
What is the molecular formula of Ixabepilone Impurity 3?
The molecular formula of Ixabepilone Impurity 3 is C26H40N2O5S.
What is the molecular weight of Ixabepilone Impurity 3?
The molecular weight of Ixabepilone Impurity 3 is 492.27 g/mol.
Where can I buy Ixabepilone Impurity 3?
You can request a quote for Ixabepilone Impurity 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ixabepilone Impurity 3?
Yes, KEHONG BIO provides custom synthesis services for Ixabepilone Impurity 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.