Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-
TL;DR: Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- (CAS 95309-80-1) is a chemical compound with molecular formula C20H18OS and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-4-phenylmethoxybenzene
Also Known As: 1-(Phenylmethoxy)-4-[(phenylmethyl)thio]benzene, 1-benzylsulfanyl-4-phenylmethoxybenzene, Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-, 1-(Benzyloxy)-4-(benzylsulfanyl)benzene, 1-benzylsulfanyl-4-phenylmethoxy-benzene
| Molecular Formula | C20H18OS |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.10785 |
| Heavy Atoms | 22 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 95309-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)SCC3=CC=CC=C3 |
| InChIKey | CXLRPSFDROKOCB-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- (CAS 95309-80-1), with molecular formula C20H18OS and molecular weight 306.11 g/mol. IUPAC: 1-benzylsulfanyl-4-phenylmethoxybenzene.
Chemical Property Profile of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-
Property Insights of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-
The XLogP value of 5.4 indicates that Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-?
The CAS number of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- is 95309-80-1.
What is the molecular formula of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-?
The molecular formula of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- is C20H18OS.
What is the molecular weight of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-?
The molecular weight of Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- is 306.11 g/mol.
Where can I buy Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-?
You can request a quote for Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(penylmethoxy)-4-((phenylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.