Epothilone A2
TL;DR: Epothilone A2 (CAS 252917-30-9) is a chemical compound with molecular formula C25H37NO6S and molecular weight 479.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,7S,8S,10R,11S,12S,16R)-7,11-dihydroxy-8,10,12-trimethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Also Known As: epothilone A2, (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-((E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-13,17-dioxabicyclo(14.1.0)heptadecane-8,12-dione, (1R,5S,6S,7R,9S,10S,14S,16S)-6,10-dihydroxy-5,7,9-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione, (1S,3S,7S,8S,10R,11S,12S,16R)-7,11-dihydroxy-8,10,12-trimethyl-3-((E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione, (1S,3S,7S,8S,10R,11S,12S,16R)-7,11-dihydroxy-8,10,12-trimethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
| Molecular Formula | C25H37NO6S |
|---|---|
| Molecular Weight | 479.23 g/mol |
| LogP | 3.69732 |
| Topological Polar Surface Area | 109.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 479.23416 |
| Heavy Atoms | 33 |
| Complexity | 866.83356 |
Chemical Identifiers
| CAS Number | 252917-30-9 |
|---|---|
| SMILES | C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H]([C@@H](C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C3=CSC(=N3)C)/C |
Product Overview
Epothilone A2 (CAS 252917-30-9), with molecular formula C25H37NO6S and molecular weight 479.23 g/mol. IUPAC: (1S,3S,7S,8S,10R,11S,12S,16R)-7,11-dihydroxy-8,10,12-trimethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione.
Chemical Property Profile of Epothilone A2
Property Insights of Epothilone A2
The XLogP value of 3.69732 indicates that Epothilone A2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Epothilone A2. Following Lipinski's Rule of Five, Epothilone A2 has 2 hydrogen bond donor(s) and 8 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 Epothilone A2?
The CAS number of Epothilone A2 is 252917-30-9.
What is the molecular formula of Epothilone A2?
The molecular formula of Epothilone A2 is C25H37NO6S.
What is the molecular weight of Epothilone A2?
The molecular weight of Epothilone A2 is 479.23 g/mol.
Where can I buy Epothilone A2?
You can request a quote for Epothilone A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epothilone A2?
Yes, KEHONG BIO provides custom synthesis services for Epothilone A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.