Deepoxymycotoxin HT 2 3-acetate
TL;DR: Deepoxymycotoxin HT 2 3-acetate (CAS 115827-79-7) is a chemical compound with molecular formula C22H32O7 and molecular weight 408.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate
Also Known As: Deepoxytoxin HT 2 3-acetate, Deepoxymycotoxin HT 2 3-acetate, Deepoxy-HT 2 toxin 3-acetate, 15-(Acetyloxy)-3alpha,4beta-dihydroxytrichotheca-9,12-dien-8alpha-yl 3-methylbutanoate, Trichotheca-9,12-diene-3,4,8,15-tetrol, 15-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-
| Molecular Formula | C22H32O7 |
|---|---|
| Molecular Weight | 408.21 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.2148 |
| Heavy Atoms | 29 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 115827-79-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)COC(=O)C |
| InChIKey | NYSAPOPHBCHQBQ-APLLJLAJSA-N |
Product Overview
Deepoxymycotoxin HT 2 3-acetate (CAS 115827-79-7), with molecular formula C22H32O7 and molecular weight 408.21 g/mol. IUPAC: [(1S,2R,4S,7R,9S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-yl] 3-methylbutanoate.
Chemical Property Profile of Deepoxymycotoxin HT 2 3-acetate
Property Insights of Deepoxymycotoxin HT 2 3-acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deepoxymycotoxin HT 2 3-acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deepoxymycotoxin HT 2 3-acetate. Following Lipinski's Rule of Five, Deepoxymycotoxin HT 2 3-acetate has 2 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 Deepoxymycotoxin HT 2 3-acetate?
The CAS number of Deepoxymycotoxin HT 2 3-acetate is 115827-79-7.
What is the molecular formula of Deepoxymycotoxin HT 2 3-acetate?
The molecular formula of Deepoxymycotoxin HT 2 3-acetate is C22H32O7.
What is the molecular weight of Deepoxymycotoxin HT 2 3-acetate?
The molecular weight of Deepoxymycotoxin HT 2 3-acetate is 408.21 g/mol.
Where can I buy Deepoxymycotoxin HT 2 3-acetate?
You can request a quote for Deepoxymycotoxin HT 2 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deepoxymycotoxin HT 2 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Deepoxymycotoxin HT 2 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.