4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide
TL;DR: 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide (CAS 64776-55-2) is a chemical compound with molecular formula C12H12OS and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12λ4-thiatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraene 12-oxide
Also Known As: 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide, 4a,8a-(Methanothiomethano)naphthalen-10-one, 4.alpha.,8.alpha.-(Methanothiomethano)naphthalene-10-oxide
| Molecular Formula | C12H12OS |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.06088 |
| Heavy Atoms | 14 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 64776-55-2 |
|---|---|
| SMILES | C1C23C=CC=CC2(CS1=O)C=CC=C3 |
| InChIKey | XWFMHDCMXVMYIN-UHFFFAOYSA-N |
Product Overview
4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide (CAS 64776-55-2), with molecular formula C12H12OS and molecular weight 204.06 g/mol. IUPAC: 12λ4-thiatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraene 12-oxide.
Chemical Property Profile of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide
Property Insights of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide 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 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide?
The CAS number of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide is 64776-55-2.
What is the molecular formula of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide?
The molecular formula of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide is C12H12OS.
What is the molecular weight of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide?
The molecular weight of 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide is 204.06 g/mol.
Where can I buy 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide?
You can request a quote for 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4alpha,8alpha-(Methanothiomethano)naphthalene 10-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.