4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-
TL;DR: 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- (CAS 17853-64-4) is a chemical compound with molecular formula C12H18S and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-thiatricyclo[4.4.3.01,6]tridec-3-ene
Also Known As: RCL T169838, 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 1,2,3,4,5,8-hexahydro-4a,8a-(methanothiomethano)naphthalene, 4.alpha.,8.alpha.-(Methanothiomethano)naphthalene,1,2,3,4,5,8-hexahydro-
| Molecular Formula | C12H18S |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.11292 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 17853-64-4 |
|---|---|
| SMILES | C1CCC23CC=CCC2(C1)CSC3 |
| InChIKey | LPZHLGIDTACMCQ-UHFFFAOYSA-N |
Product Overview
4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- (CAS 17853-64-4), with molecular formula C12H18S and molecular weight 194.11 g/mol. IUPAC: 12-thiatricyclo[4.4.3.01,6]tridec-3-ene.
Chemical Property Profile of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-
Property Insights of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-
The XLogP value of 3.6 indicates that 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- has 0 hydrogen bond donor(s) and 1 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, 1,2,3,4,5,8-hexahydro-?
The CAS number of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- is 17853-64-4.
What is the molecular formula of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-?
The molecular formula of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- is C12H18S.
What is the molecular weight of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-?
The molecular weight of 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- is 194.11 g/mol.
Where can I buy 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-?
You can request a quote for 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- 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, 1,2,3,4,5,8-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.