2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol
TL;DR: 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol (CAS 309286-77-9) is a chemical compound with molecular formula C18H20O2S2 and molecular weight 332.09 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)-4-methoxyphenol
Also Known As: starbld0005580, ChemDiv1_018978, DivK1c_003762, 2-(7,8-Dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)-4-methoxyphenol, CDS1_002722
| Molecular Formula | C18H20O2S2 |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.09048 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 309286-77-9 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=C(C=CC(=C3)OC)O)C=C1C |
| InChIKey | LZOQKZYEBDHQQM-UHFFFAOYSA-N |
Product Overview
2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol (CAS 309286-77-9), with molecular formula C18H20O2S2 and molecular weight 332.09 g/mol. IUPAC: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol.
Chemical Property Profile of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol
Property Insights of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol
The XLogP value of 4.6 indicates that 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol. Following Lipinski's Rule of Five, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol has 1 hydrogen bond donor(s) and 4 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)-4-methoxyphenol?
The CAS number of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol is 309286-77-9.
What is the molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol?
The molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol is C18H20O2S2.
What is the molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol?
The molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol is 332.09 g/mol.
Where can I buy 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol?
You can request a quote for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol 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)-4-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.