(4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol
TL;DR: (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol (CAS 6344-11-2) 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.
(2S,3R,7R,9R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,11-diol
Also Known As: 7-Hydroxytrichodermol, KST-1A0251, 12,13-Epoxytrichothec-9-ene-4,7-diol, (4, A,7
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 6344-11-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1)O)(C3([C@@H](C[C@H](C34CO4)O2)O)C)C |
| InChIKey | HSKDIWXLQLBLPQ-HRDJXZGKSA-N |
Product Overview
(4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol (CAS 6344-11-2), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (2S,3R,7R,9R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,11-diol.
Chemical Property Profile of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol
Property Insights of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol. Following Lipinski's Rule of Five, (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-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 (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol?
The CAS number of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol is 6344-11-2.
What is the molecular formula of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol?
The molecular formula of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol is C15H22O4.
What is the molecular weight of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol?
The molecular weight of (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol is 266.15 g/mol.
Where can I buy (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol?
You can request a quote for (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol?
Yes, KEHONG BIO provides custom synthesis services for (4beta,7alpha)-12,13-Epoxytrichothec-9-ene-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.