Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-
TL;DR: Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- (CAS 40219-42-9) is a chemical compound with molecular formula C20H32S2 and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6,6,11,11,13,13-octamethyl-5,12-dithiatricyclo[7.5.0.02,8]tetradeca-1(9),2(8)-diene
Also Known As: Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-, Cyclobuta[1,2-d:3,4-d']bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-, 2,2,4,4,7,7,9,9-Octamethyl-1,2,4,5,6,7,9,10-octahydrocyclobuta[1,2-d:3,4-d']bisthiepine, Cyclobuta[1,2-d:3,4-d']bisthiepin, 1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-
| Molecular Formula | C20H32S2 |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.19455 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 40219-42-9 |
|---|---|
| SMILES | CC1(CC2=C(CC(S1)(C)C)C3=C2CC(SC(C3)(C)C)(C)C)C |
| InChIKey | VMXRCFNCBUCFDX-UHFFFAOYSA-N |
Product Overview
Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- (CAS 40219-42-9), with molecular formula C20H32S2 and molecular weight 336.19 g/mol. IUPAC: 4,4,6,6,11,11,13,13-octamethyl-5,12-dithiatricyclo[7.5.0.02,8]tetradeca-1(9),2(8)-diene.
Chemical Property Profile of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-
Property Insights of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-
The XLogP value of 4.1 indicates that Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- 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 Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-?
The CAS number of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- is 40219-42-9.
What is the molecular formula of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-?
The molecular formula of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- is C20H32S2.
What is the molecular weight of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-?
The molecular weight of Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- is 336.19 g/mol.
Where can I buy Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-?
You can request a quote for Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclobuta(1,2-d:3,4-d')bisthiepin,1,2,4,5,6,7,9,10-octahydro-1,1,5,5,6,6,10,10-octamethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.