Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-
TL;DR: Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- (CAS 212841-98-0) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,5S,8R,10R,12R,13S)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-yl] (Z)-but-2-enoate
Also Known As: Crotocin, Antibiotic T, 4-Isocrotonyloxy-7,8-epoxyscirp-9-ene, NSC 145,414, 3-methoxy-2-(3-trimethylsilylprop-2-ynyl)benzaldehyde
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.1543 |
| Topological Polar Surface Area | 60.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 677.2446 |
Chemical Identifiers
| CAS Number | 212841-98-0 |
|---|---|
| SMILES | C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3(C1([C@@]4([C@H](O2)C=C([C@H]5[C@@H]4O5)C)C)C)CO3 |
Product Overview
Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- (CAS 212841-98-0), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: [(2R,3R,5S,8R,10R,12R,13S)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-yl] (Z)-but-2-enoate.
Chemical Property Profile of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-
Property Insights of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-
The XLogP value of 2.1543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-. The TPSA of 60.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-. Following Lipinski's Rule of Five, Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- has 0 hydrogen bond donor(s) and 5 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 Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-?
The CAS number of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- is 212841-98-0.
What is the molecular formula of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-?
The molecular formula of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- is C19H24O5.
What is the molecular weight of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-?
The molecular weight of Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- is 332.16 g/mol.
Where can I buy Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-?
You can request a quote for Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)-?
Yes, KEHONG BIO provides custom synthesis services for Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4beta,7beta,8beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.