2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
TL;DR: 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol (CAS 309286-75-7) is a chemical compound with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
Also Known As: ChemDiv1_021392, BAS 01181125, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol, A2136/0089695, Phenol, 4-methyl-2-(7,8-dimethylbenzo[e]dithiepan-2-yl)-6-nitro-
| Molecular Formula | C18H19NO3S2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.08063 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 309286-75-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C2SCC3=C(CS2)C=C(C(=C3)C)C |
| InChIKey | QPRUXZUWBOXDEZ-UHFFFAOYSA-N |
Product Overview
2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol (CAS 309286-75-7), with molecular formula C18H19NO3S2 and molecular weight 361.08 g/mol. IUPAC: 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol.
Chemical Property Profile of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
Property Insights of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
The XLogP value of 5.3 indicates that 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol. Following Lipinski's Rule of Five, 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol?
The CAS number of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol is 309286-75-7.
What is the molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol?
The molecular formula of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol is C18H19NO3S2.
What is the molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol?
The molecular weight of 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol is 361.08 g/mol.
Where can I buy 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol?
You can request a quote for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.