3,4-Diacetoxyscirpen-15-ol
TL;DR: 3,4-Diacetoxyscirpen-15-ol (CAS 6200-90-4) is a chemical compound with molecular formula C19H26O7 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-acetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
Also Known As: 3,4-Diacetoxyscirpenol, 3,4-Diacetoxyscirpen-15-ol, ANGUIDINE DERIV (3,4-DIACETOXYSCIRPNE-15-OL), 15-Hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate, Trichothec-9-ene-3,4,15-triol, 12,13-epoxy, 3,4-diacetate
| Molecular Formula | C19H26O7 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.16785 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 6200-90-4 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC(=O)C)OC(=O)C)C)CO |
| InChIKey | INNGXXRVGHCNRI-UHFFFAOYSA-N |
Product Overview
3,4-Diacetoxyscirpen-15-ol (CAS 6200-90-4), with molecular formula C19H26O7 and molecular weight 366.17 g/mol. IUPAC: [11-acetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate.
Chemical Property Profile of 3,4-Diacetoxyscirpen-15-ol
Property Insights of 3,4-Diacetoxyscirpen-15-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diacetoxyscirpen-15-ol. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diacetoxyscirpen-15-ol. Following Lipinski's Rule of Five, 3,4-Diacetoxyscirpen-15-ol has 1 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 3,4-Diacetoxyscirpen-15-ol?
The CAS number of 3,4-Diacetoxyscirpen-15-ol is 6200-90-4.
What is the molecular formula of 3,4-Diacetoxyscirpen-15-ol?
The molecular formula of 3,4-Diacetoxyscirpen-15-ol is C19H26O7.
What is the molecular weight of 3,4-Diacetoxyscirpen-15-ol?
The molecular weight of 3,4-Diacetoxyscirpen-15-ol is 366.17 g/mol.
Where can I buy 3,4-Diacetoxyscirpen-15-ol?
You can request a quote for 3,4-Diacetoxyscirpen-15-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diacetoxyscirpen-15-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diacetoxyscirpen-15-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.