1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide
TL;DR: 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide (CAS 82801-75-0) is a chemical compound with molecular formula C27H20OS4 and molecular weight 488.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4-methyl-2-[(7Z)-7-(4-methyl-1,3-benzodithiol-2-ylidene)-2-bicyclo[4.4.1]undeca-1(10),3,5,8-tetraenylidene]-1λ4,3-benzodithiole 1-oxide
Also Known As: 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide, (2E)-4-methyl-2-[(2Z)-2-(4-methyl-1,3-benzodithiol-2-ylidene)-7-bicyclo[4.4.1]undeca-1(10),3,5,8-tetraenylidene]-1
| Molecular Formula | C27H20OS4 |
|---|---|
| Molecular Weight | 488.04 g/mol |
| LogP | 8.22044 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 488.0397 |
| Heavy Atoms | 32 |
| Complexity | 1398.7299 |
Chemical Identifiers
| CAS Number | 82801-75-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)S/C(=C/3\C=CC=C\4CC3=CC=C/C4=C\5/SC6=C(C=CC=C6S5=O)C)/S2 |
Product Overview
1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide (CAS 82801-75-0), with molecular formula C27H20OS4 and molecular weight 488.04 g/mol. IUPAC: (2E)-4-methyl-2-[(7Z)-7-(4-methyl-1,3-benzodithiol-2-ylidene)-2-bicyclo[4.4.1]undeca-1(10),3,5,8-tetraenylidene]-1λ4,3-benzodithiole 1-oxide.
Chemical Property Profile of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide
Property Insights of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide
The XLogP value of 8.22044 indicates that 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide?
The CAS number of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide is 82801-75-0.
What is the molecular formula of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide?
The molecular formula of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide is C27H20OS4.
What is the molecular weight of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide?
The molecular weight of 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide is 488.04 g/mol.
Where can I buy 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide?
You can request a quote for 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodithiole, methyl-2-(7-(methyl-1,3-benzodithiol-2-ylidene)bicyclo(4.4.1)undeca-3,5,8,10-tetraen-2-ylidene)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.