Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-
TL;DR: Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- (CAS 133884-20-5) is a chemical compound with molecular formula C16H18ClNOS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol
Also Known As: 403u76 Free base, Zotepine impurity 9, Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-, [5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-phenyl]-methanol, [5-chloro-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]methanol
| Molecular Formula | C16H18ClNOS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 4.0451 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.07977 |
| Heavy Atoms | 20 |
| Complexity | 586.4396 |
Chemical Identifiers
| CAS Number | 133884-20-5 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)Cl)CO |
Product Overview
Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- (CAS 133884-20-5), with molecular formula C16H18ClNOS and molecular weight 307.08 g/mol. IUPAC: [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol.
Chemical Property Profile of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-
Property Insights of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-
The XLogP value of 4.0451 indicates that Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- has 1 hydrogen bond donor(s) and 3 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 Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-?
The CAS number of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- is 133884-20-5.
What is the molecular formula of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-?
The molecular formula of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- is C16H18ClNOS.
What is the molecular weight of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-?
The molecular weight of Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- is 307.08 g/mol.
Where can I buy Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-?
You can request a quote for Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 5-chloro-2-((2-((dimethylamino)methyl)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.