4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol
TL;DR: 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol (CAS 342379-22-0) is a chemical compound with molecular formula C21H19BrOS2 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)naphthalen-1-ol
Also Known As: 4-bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol, AE-848/12505043, 4-bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)naphthalen-1-ol, 4-bromo-2-(7,8-dimethyl-1,5-dihydrobenzo[e][1,3]dithiepin-3-yl)naphthalen-1-ol
| Molecular Formula | C21H19BrOS2 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 7.10354 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 430.00607 |
| Heavy Atoms | 25 |
| Complexity | 934.75757 |
Chemical Identifiers
| CAS Number | 342379-22-0 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=C(C4=CC=CC=C4C(=C3)Br)O)C=C1C |
Product Overview
4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol (CAS 342379-22-0), with molecular formula C21H19BrOS2 and molecular weight 430.01 g/mol. IUPAC: 4-bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)naphthalen-1-ol.
Chemical Property Profile of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol
Property Insights of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol
The XLogP value of 7.10354 indicates that 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol has 1 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-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol?
The CAS number of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol is 342379-22-0.
What is the molecular formula of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol?
The molecular formula of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol is C21H19BrOS2.
What is the molecular weight of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol?
The molecular weight of 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol is 430.01 g/mol.
Where can I buy 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol?
You can request a quote for 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-1-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.