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8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene
TL;DR: 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene (CAS 57595-29-6) is a chemical compound with molecular formula C10H14OS and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene
Also Known As: RCL T187801, 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene, 4,7-Dihydro-1H,3H-3a,7a-(methanothiomethano)-2-benzofuran
| Molecular Formula | C10H14OS |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.07654 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 57595-29-6 |
|---|---|
| SMILES | C1C=CCC23C1(COC2)CSC3 |
| InChIKey | CRVXCDTWSYNGMU-UHFFFAOYSA-N |
Product Overview
8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene (CAS 57595-29-6), with molecular formula C10H14OS and molecular weight 182.08 g/mol. IUPAC: 8-oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene.
Chemical Property Profile of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene
Property Insights of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene. With a topological polar surface area (TPSA) of 34.5 Ų, 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene has 0 hydrogen bond donor(s) and 2 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 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene?
The CAS number of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene is 57595-29-6.
What is the molecular formula of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene?
The molecular formula of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene is C10H14OS.
What is the molecular weight of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene?
The molecular weight of 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene is 182.08 g/mol.
Where can I buy 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene?
You can request a quote for 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxa-11-thiatricyclo[4.3.3.01,6]dodec-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.