![4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate structure](/static/products/6944/694455-72-6.webp)
4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate
TL;DR: 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate (CAS 694455-72-6) is a chemical compound with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-butoxybenzoyl)amino]-3-chlorophenyl] thiocyanate
Also Known As: 4-[(4-butoxybenzoyl)amino]-3-chlorophenyl thiocyanate, [4-[(4-butoxybenzoyl)amino]-3-chlorophenyl] thiocyanate, AO-080/41817203, 4-butoxy-N-(2-chloro-4-thiocyanatophenyl)benzamide, (4-butoxyphenyl)-N-(2-chloro-4-cyanothiophenyl)carboxamide
| Molecular Formula | C18H17ClN2O2S |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 5.34438 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.06992 |
| Heavy Atoms | 24 |
| Complexity | 741.67426 |
Chemical Identifiers
| CAS Number | 694455-72-6 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)SC#N)Cl |
Product Overview
4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate (CAS 694455-72-6), with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol. IUPAC: [4-[(4-butoxybenzoyl)amino]-3-chlorophenyl] thiocyanate.
Chemical Property Profile of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate
Property Insights of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate
The XLogP value of 5.34438 indicates that 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate. Following Lipinski's Rule of Five, 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate?
The CAS number of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate is 694455-72-6.
What is the molecular formula of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate?
The molecular formula of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate is C18H17ClN2O2S.
What is the molecular weight of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate?
The molecular weight of 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate is 360.07 g/mol.
Where can I buy 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate?
You can request a quote for 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Butoxybenzoyl)amino]-3-chlorophenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.