3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
TL;DR: 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-88-2) 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.
3-(4-methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: ChemDiv1_021130, BAS 01157875, 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine, AB01315097-02, AE-848/36959101
| Molecular Formula | C18H20OS2 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.09555 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 309286-88-2 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=CC=C(C=C3)OC)C=C1C |
| InChIKey | OVDPPMGEXHYHNE-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-88-2), with molecular formula C18H20OS2 and molecular weight 316.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Property Insights of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
The XLogP value of 4.9 indicates that 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine has 0 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 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The CAS number of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 309286-88-2.
What is the molecular formula of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular formula of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is C18H20OS2.
What is the molecular weight of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular weight of 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 316.10 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
You can request a quote for 3-(4-Methoxyphenyl)-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-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.