2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol
TL;DR: 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol (CAS 309286-84-8) is a chemical compound with molecular formula C18H20OS2 and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol
Also Known As: ChemDiv1_026375, BAS 01181128, AB01326129-02, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol, A2137/0089705
| Molecular Formula | C18H20OS2 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.09555 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 309286-84-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2SCC3=C(CS2)C=C(C(=C3)C)C)O |
| InChIKey | NIXIEPDUSCDAKH-UHFFFAOYSA-N |
Product Overview
2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol (CAS 309286-84-8), with molecular formula C18H20OS2 and molecular weight 316.10 g/mol. IUPAC: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol.
Chemical Property Profile of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol
Property Insights of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol
The XLogP value of 5.0 indicates that 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol. Following Lipinski's Rule of Five, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol has 1 hydrogen bond donor(s) and 3 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 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol?
The CAS number of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol is 309286-84-8.
What is the molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol?
The molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol is C18H20OS2.
What is the molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol?
The molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol is 316.10 g/mol.
Where can I buy 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol?
You can request a quote for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.