4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline
TL;DR: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline (CAS 325822-97-7) is a chemical compound with molecular formula C21H27NS2 and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline
Also Known As: AB01327764-02, 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline, 4-(7,8-dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)-N,N-diethylaniline
| Molecular Formula | C21H27NS2 |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 6.32844 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.15848 |
| Heavy Atoms | 24 |
| Complexity | 656.7301 |
Chemical Identifiers
| CAS Number | 325822-97-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2SCC3=C(CS2)C=C(C(=C3)C)C |
Product Overview
4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline (CAS 325822-97-7), with molecular formula C21H27NS2 and molecular weight 357.16 g/mol. IUPAC: 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline.
Chemical Property Profile of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline
Property Insights of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline
The XLogP value of 6.32844 indicates that 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline?
The CAS number of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline is 325822-97-7.
What is the molecular formula of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline?
The molecular formula of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline is C21H27NS2.
What is the molecular weight of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline?
The molecular weight of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline is 357.16 g/mol.
Where can I buy 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline?
You can request a quote for 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-N,N-diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.