(12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol
TL;DR: (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol (CAS 90044-33-0) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R,9S,10S,11R)-11-(hydroxymethyl)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-9-ol
Also Known As: Sambucinol, (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.3601 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 488.53723 |
Chemical Identifiers
| CAS Number | 90044-33-0 |
|---|---|
| SMILES | CC1=CC23[C@](CC1)([C@]4(C[C@@H]([C@@H]([C@]4(O2)CO)O3)O)C)C |
Product Overview
(12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol (CAS 90044-33-0), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (6R,7R,9S,10S,11R)-11-(hydroxymethyl)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-9-ol.
Chemical Property Profile of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol
Property Insights of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol
The XLogP value of 1.3601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol. With a topological polar surface area (TPSA) of 58.92 Ų, (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol has 2 hydrogen bond donor(s) and 4 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 (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol?
The CAS number of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol is 90044-33-0.
What is the molecular formula of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol?
The molecular formula of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol is C15H22O4.
What is the molecular weight of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol?
The molecular weight of (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol is 266.15 g/mol.
Where can I buy (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol?
You can request a quote for (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol?
Yes, KEHONG BIO provides custom synthesis services for (12R)-2alpha,11xi-11,12-Epoxytrichothec-9-ene-3beta,13-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.