Epothilone D (synthetic)
TL;DR: Epothilone D (synthetic) (CAS 189453-10-9) is a chemical compound with molecular formula C27H41NO5S and molecular weight 491.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7R,8S,9S,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
Also Known As: Epothilone D, Desoxyepothilone b, Epothilone D (synthetic), NCI60_036875, (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]oxacyclohexadec-13-ene-2,6-dione
| Molecular Formula | C27H41NO5S |
|---|---|
| Molecular Weight | 491.27 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.27054 |
| Heavy Atoms | 34 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 189453-10-9 |
|---|---|
| SMILES | C[C@H]1CCCC(=CC[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C |
| InChIKey | XOZIUKBZLSUILX-ACXZAVLPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Epothilone D (synthetic) (CAS 189453-10-9), with molecular formula C27H41NO5S and molecular weight 491.27 g/mol. IUPAC: (4S,7R,8S,9S,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione.
Chemical Property Profile of Epothilone D (synthetic)
Property Insights of Epothilone D (synthetic)
The XLogP value of 5.0 indicates that Epothilone D (synthetic) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Epothilone D (synthetic). Following Lipinski's Rule of Five, Epothilone D (synthetic) has 2 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 Epothilone D (synthetic)?
The CAS number of Epothilone D (synthetic) is 189453-10-9.
What is the molecular formula of Epothilone D (synthetic)?
The molecular formula of Epothilone D (synthetic) is C27H41NO5S.
What is the molecular weight of Epothilone D (synthetic)?
The molecular weight of Epothilone D (synthetic) is 491.27 g/mol.
Where can I buy Epothilone D (synthetic)?
You can request a quote for Epothilone D (synthetic) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epothilone D (synthetic)?
Yes, KEHONG BIO provides custom synthesis services for Epothilone D (synthetic) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.