4-Heptylsulfanyl-phenol
TL;DR: 4-Heptylsulfanyl-phenol (CAS 41796-12-7) is a chemical compound with molecular formula C13H20OS and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptylsulfanylphenol
Also Known As: 4-heptylsulfanyl-phenol, 4-heptylsulfanylphenol, 4-(heptylsulfanyl)phenol, 684-303-9, RefChem:523582
| Molecular Formula | C13H20OS |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 4.4547 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.12349 |
| Heavy Atoms | 15 |
| Complexity | 255.7434 |
Chemical Identifiers
| CAS Number | 41796-12-7 |
|---|---|
| SMILES | CCCCCCCSC1=CC=C(C=C1)O |
Product Overview
4-Heptylsulfanyl-phenol (CAS 41796-12-7), with molecular formula C13H20OS and molecular weight 224.12 g/mol. IUPAC: 4-heptylsulfanylphenol.
Chemical Property Profile of 4-Heptylsulfanyl-phenol
Property Insights of 4-Heptylsulfanyl-phenol
The XLogP value of 4.4547 indicates that 4-Heptylsulfanyl-phenol 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-Heptylsulfanyl-phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptylsulfanyl-phenol has 1 hydrogen bond donor(s) and 2 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 4-Heptylsulfanyl-phenol?
The CAS number of 4-Heptylsulfanyl-phenol is 41796-12-7.
What is the molecular formula of 4-Heptylsulfanyl-phenol?
The molecular formula of 4-Heptylsulfanyl-phenol is C13H20OS.
What is the molecular weight of 4-Heptylsulfanyl-phenol?
The molecular weight of 4-Heptylsulfanyl-phenol is 224.12 g/mol.
Where can I buy 4-Heptylsulfanyl-phenol?
You can request a quote for 4-Heptylsulfanyl-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptylsulfanyl-phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptylsulfanyl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.