(+/-)-2-(methylthio)-2-bornene
TL;DR: (+/-)-2-(methylthio)-2-bornene (CAS 59121-84-5) is a chemical compound with molecular formula C19H26O8 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,7R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Also Known As: (+/-)-2-(methylthio)-2-bornene, Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 0.0957 |
| Topological Polar Surface Area | 114.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 712.4982 |
Chemical Identifiers
| CAS Number | 59121-84-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1)O)([C@]3([C@@H]([C@H](C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C |
Product Overview
(+/-)-2-(methylthio)-2-bornene (CAS 59121-84-5), with molecular formula C19H26O8 and molecular weight 382.16 g/mol. IUPAC: [(1S,2R,3R,7R,10R,11S)-11-acetyloxy-3,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate.
Chemical Property Profile of (+/-)-2-(methylthio)-2-bornene
Property Insights of (+/-)-2-(methylthio)-2-bornene
The XLogP value of 0.0957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-2-(methylthio)-2-bornene. The TPSA of 114.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)-2-(methylthio)-2-bornene. Following Lipinski's Rule of Five, (+/-)-2-(methylthio)-2-bornene has 2 hydrogen bond donor(s) and 8 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-(methylthio)-2-bornene?
The CAS number of (+/-)-2-(methylthio)-2-bornene is 59121-84-5.
What is the molecular formula of (+/-)-2-(methylthio)-2-bornene?
The molecular formula of (+/-)-2-(methylthio)-2-bornene is C19H26O8.
What is the molecular weight of (+/-)-2-(methylthio)-2-bornene?
The molecular weight of (+/-)-2-(methylthio)-2-bornene is 382.16 g/mol.
Where can I buy (+/-)-2-(methylthio)-2-bornene?
You can request a quote for (+/-)-2-(methylthio)-2-bornene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)-2-(methylthio)-2-bornene?
Yes, KEHONG BIO provides custom synthesis services for (+/-)-2-(methylthio)-2-bornene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.