3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
TL;DR: 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-85-9) is a chemical compound with molecular formula C19H22O2S2 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: ChemDiv1_021436, BAS 01157869, 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine, BIM-0035220.P001, AB01231115-03
| Molecular Formula | C19H22O2S2 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1061 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 309286-85-9 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=CC(=C(C=C3)OC)OC)C=C1C |
| InChIKey | GTEPWIGDOGADHK-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-85-9), with molecular formula C19H22O2S2 and molecular weight 346.11 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Property Insights of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
The XLogP value of 4.9 indicates that 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine has 0 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 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The CAS number of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 309286-85-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is C19H22O2S2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 346.11 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.