(11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol
TL;DR: (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol (CAS 104148-46-1) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R,7R,10R,11R)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-11-yl]methanol
Also Known As: KST-1A0629, 11,12-Epoxytrichothec-9-en-13-ol, (11xi,12r)-11,12-epoxytrichothec-9-en-13-ol
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 104148-46-1 |
|---|---|
| SMILES | CC1=CC23[C@](CC1)([C@]4(CC[C@H]([C@]4(O2)CO)O3)C)C |
| InChIKey | SFDJEINPFSNJBN-AVBXVCIKSA-N |
Product Overview
(11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol (CAS 104148-46-1), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: [(6R,7R,10R,11R)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-11-yl]methanol.
Chemical Property Profile of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol
Property Insights of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol. With a topological polar surface area (TPSA) of 38.7 Ų, (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol has 1 hydrogen bond donor(s) and 3 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 (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol?
The CAS number of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol is 104148-46-1.
What is the molecular formula of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol?
The molecular formula of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol is C15H22O3.
What is the molecular weight of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol?
The molecular weight of (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol is 250.16 g/mol.
Where can I buy (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol?
You can request a quote for (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol?
Yes, KEHONG BIO provides custom synthesis services for (11xi,12r)-11,12-Epoxytrichothec-9-en-13-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.