![2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate structure](/static/products/6199/61994-07-8.webp)
2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate
TL;DR: 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate (CAS 61994-07-8) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(3-phenylpropanoylamino)phenyl] thiocyanate
Also Known As: [2-chloro-4-(3-phenylpropanoylamino)phenyl] thiocyanate|2-chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate|2-Chloro-4-(3-phenylpropanamido)phenyl thiocyanate|Thiocyanic acid, 2-chloro-4-[(1-oxo-3-phenylpropyl)amino]phenyl ester
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.48448 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 667.72235 |
Chemical Identifiers
| CAS Number | 61994-07-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)SC#N)Cl |
Product Overview
2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate (CAS 61994-07-8), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: [2-chloro-4-(3-phenylpropanoylamino)phenyl] thiocyanate.
Chemical Property Profile of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate
Property Insights of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate
The XLogP value of 4.48448 indicates that 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate 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 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate?
The CAS number of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate is 61994-07-8.
What is the molecular formula of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate?
The molecular formula of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate is C16H13ClN2OS.
What is the molecular weight of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate?
The molecular weight of 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate is 316.04 g/mol.
Where can I buy 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate?
You can request a quote for 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-[(3-phenylpropanoyl)amino]phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.