4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
TL;DR: 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol (CAS 309286-89-3) is a chemical compound with molecular formula C17H17ClOS2 and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
Also Known As: ChemDiv1_021260, BAS 01181132, AB01314998-02, AE-848/12505046, 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
| Molecular Formula | C17H17ClOS2 |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.04092 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 309286-89-3 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=C(C=CC(=C3)Cl)O)C=C1C |
| InChIKey | MODBECAJIBMXLU-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol (CAS 309286-89-3), with molecular formula C17H17ClOS2 and molecular weight 336.04 g/mol. IUPAC: 4-chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol.
Chemical Property Profile of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
Property Insights of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
The XLogP value of 5.2 indicates that 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol. Following Lipinski's Rule of Five, 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol 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-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
The CAS number of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is 309286-89-3.
What is the molecular formula of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
The molecular formula of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is C17H17ClOS2.
What is the molecular weight of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
The molecular weight of 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol is 336.04 g/mol.
Where can I buy 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
You can request a quote for 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.