3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride
TL;DR: 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride (CAS 26962-16-3) is a chemical compound with molecular formula C24H36ClN3O2S and molecular weight 465.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-ethoxyphenyl]thiourea;hydrochloride
Also Known As: 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride, Urea, 1-(p-butoxyphenyl)-3-(3-(diethylamino)methyl-4-ethoxyphenyl)-2-thio-, hydrochloride, 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-ethoxyphenyl]thiourea hydrochloride, N-(4-Butoxyphenyl)-N'-{3-[(diethylamino)methyl]-4-ethoxyphenyl}thiourea--hydrogen chloride (1/1), RefChem:387544
| Molecular Formula | C24H36ClN3O2S |
|---|---|
| Molecular Weight | 465.22 g/mol |
| LogP | 6.3367 |
| Topological Polar Surface Area | 45.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 465.22168 |
| Heavy Atoms | 31 |
| Complexity | 782.8939 |
Chemical Identifiers
| CAS Number | 26962-16-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)CN(CC)CC.Cl |
Product Overview
3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride (CAS 26962-16-3), with molecular formula C24H36ClN3O2S and molecular weight 465.22 g/mol. IUPAC: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-ethoxyphenyl]thiourea;hydrochloride.
Chemical Property Profile of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride
Property Insights of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride
The XLogP value of 6.3367 indicates that 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.76 Ų, 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride has 2 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 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride?
The CAS number of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride is 26962-16-3.
What is the molecular formula of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride?
The molecular formula of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride is C24H36ClN3O2S.
What is the molecular weight of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride?
The molecular weight of 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride is 465.22 g/mol.
Where can I buy 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride?
You can request a quote for 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)methyl-4'-butoxy-4-ethoxythiocarbanilide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.