2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole
TL;DR: 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole (CAS 79320-86-8) is a chemical compound with molecular formula C19H25NO6 and molecular weight 363.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9S,10R,14S,15S)-10-hydroxy-1,5,12-trimethylspiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxirane]-2-yl]methyl acetate
Also Known As: Maheto, KST-1A8477, 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole, [(3ar,4s,5ar,9ar,10s,10as,11s)-3a-hydroxy-2,7,10-trimethyl-3a,4,8,9,10,10a-hexahydrospiro[4,10-methano[1]benzoxepino[3,4-d][1,3]oxazole-11,2'-oxiran]-9a(5ah)-yl]methyl acetate, [(2S)-hydroxy(trimethyl)spiro[[?]-2,2'-oxirane]yl]methyl acetate
| Molecular Formula | C19H25NO6 |
|---|---|
| Molecular Weight | 363.17 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.16818 |
| Heavy Atoms | 26 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 79320-86-8 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3([C@H]4[C@@]([C@H]([C@@]35CO5)O2)(N=C(O4)C)O)C)COC(=O)C |
| InChIKey | VPAFCFZXLOFBST-IVBNJOGPSA-N |
Product Overview
2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole (CAS 79320-86-8), with molecular formula C19H25NO6 and molecular weight 363.17 g/mol. IUPAC: [(1S,2R,7R,9S,10R,14S,15S)-10-hydroxy-1,5,12-trimethylspiro[8,13-dioxa-11-azatetracyclo[7.5.1.02,7.010,14]pentadeca-5,11-diene-15,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole
Property Insights of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole
The XLogP value of -0.2 indicates that 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole. Following Lipinski's Rule of Five, 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole 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 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole?
The CAS number of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole is 79320-86-8.
What is the molecular formula of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole?
The molecular formula of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole is C19H25NO6.
What is the molecular weight of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole?
The molecular weight of 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole is 363.17 g/mol.
Where can I buy 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole?
You can request a quote for 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2'-Methyl-15-acetoxy-3-hydroxy-12,13-epoxytrichotheceno(3,4-d)oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.