5-(3-Chlorophenoxy)pentyl thiocyanate
TL;DR: 5-(3-Chlorophenoxy)pentyl thiocyanate (CAS 5359-79-5) is a chemical compound with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenoxy)pentyl thiocyanate
Also Known As: 5-(3-chlorophenoxy)pentyl thiocyanate, AB00082916-01
| Molecular Formula | C12H14ClNOS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 4.10338 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.04846 |
| Heavy Atoms | 16 |
| Complexity | 351.11716 |
Chemical Identifiers
| CAS Number | 5359-79-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OCCCCCSC#N |
Product Overview
5-(3-Chlorophenoxy)pentyl thiocyanate (CAS 5359-79-5), with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol. IUPAC: 5-(3-chlorophenoxy)pentyl thiocyanate.
Chemical Property Profile of 5-(3-Chlorophenoxy)pentyl thiocyanate
Property Insights of 5-(3-Chlorophenoxy)pentyl thiocyanate
The XLogP value of 4.10338 indicates that 5-(3-Chlorophenoxy)pentyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 5-(3-Chlorophenoxy)pentyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenoxy)pentyl thiocyanate has 0 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 5-(3-Chlorophenoxy)pentyl thiocyanate?
The CAS number of 5-(3-Chlorophenoxy)pentyl thiocyanate is 5359-79-5.
What is the molecular formula of 5-(3-Chlorophenoxy)pentyl thiocyanate?
The molecular formula of 5-(3-Chlorophenoxy)pentyl thiocyanate is C12H14ClNOS.
What is the molecular weight of 5-(3-Chlorophenoxy)pentyl thiocyanate?
The molecular weight of 5-(3-Chlorophenoxy)pentyl thiocyanate is 255.05 g/mol.
Where can I buy 5-(3-Chlorophenoxy)pentyl thiocyanate?
You can request a quote for 5-(3-Chlorophenoxy)pentyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenoxy)pentyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenoxy)pentyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.