7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine
TL;DR: 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine (CAS 10153-34-1) is a chemical compound with molecular formula C17H18S2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: Maybridge4_000222, IDI1_030804, AB01097107-03, 7,8-dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine, 7,8-dimethyl-3-phenyl-1,5-dihydrobenzo[e][1,3]dithiepine
| Molecular Formula | C17H18S2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.085 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 10153-34-1 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=CC=CC=C3)C=C1C |
| InChIKey | HQRAPJHAYXQOFB-UHFFFAOYSA-N |
Product Overview
7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine (CAS 10153-34-1), with molecular formula C17H18S2 and molecular weight 286.08 g/mol. IUPAC: 7,8-dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine
Property Insights of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine
The XLogP value of 4.9 indicates that 7,8-Dimethyl-3-phenyl-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 50.6 Ų, 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine has 0 hydrogen bond donor(s) and 2 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 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine?
The CAS number of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine is 10153-34-1.
What is the molecular formula of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine?
The molecular formula of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine is C17H18S2.
What is the molecular weight of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine?
The molecular weight of 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine is 286.08 g/mol.
Where can I buy 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine?
You can request a quote for 7,8-Dimethyl-3-phenyl-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 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethyl-3-phenyl-1,5-dihydro-2,4-benzodithiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.