2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
TL;DR: 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol (CAS 309286-78-0) is a chemical compound with molecular formula C17H18OS2 and molecular weight 302.08 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)phenol
Also Known As: BAS 01181127, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol, 2-(7,8-Dimethyl-1,5-dihydro-benzo[e][1,3]dithiepin-3-yl)-phenol, Phenol, 2-(6,7-dimethylbenzo[e]dithiepan-2-yl)-, A2136/0089699
| Molecular Formula | C17H18OS2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0799 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 309286-78-0 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=CC=CC=C3O)C=C1C |
| InChIKey | CDTRHNXTYFNMBG-UHFFFAOYSA-N |
Product Overview
2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol (CAS 309286-78-0), with molecular formula C17H18OS2 and molecular weight 302.08 g/mol. IUPAC: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol.
Chemical Property Profile of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
Property Insights of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
The XLogP value of 4.6 indicates that 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol 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)phenol. Following Lipinski's Rule of Five, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol 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)phenol?
The CAS number of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is 309286-78-0.
What is the molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
The molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is C17H18OS2.
What is the molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
The molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is 302.08 g/mol.
Where can I buy 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
You can request a quote for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol 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)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.