3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride
TL;DR: 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride (CAS 34458-99-6) is a chemical compound with molecular formula C25H38ClN3O2S and molecular weight 479.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(diethylaminomethyl)-4-ethoxyphenyl]-3-(4-pentoxyphenyl)thiourea;hydrochloride
Also Known As: 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride, Urea, 1-(3-(diethylamino)methyl-4-ethoxyphenyl)-3-(p-(pentyloxy)phenyl)-2-thio-, hydrochloride, 1-[3-(diethylaminomethyl)-4-ethoxyphenyl]-3-(4-pentoxyphenyl)thiourea hydrochloride, N-{3-[(Diethylamino)methyl]-4-ethoxyphenyl}-N'-[4-(pentyloxy)phenyl]thiourea--hydrogen chloride (1/1), RefChem:387405
| Molecular Formula | C25H38ClN3O2S |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 6.7268 |
| Topological Polar Surface Area | 45.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 479.23734 |
| Heavy Atoms | 32 |
| Complexity | 798.27405 |
Chemical Identifiers
| CAS Number | 34458-99-6 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)CN(CC)CC.Cl |
Product Overview
3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride (CAS 34458-99-6), with molecular formula C25H38ClN3O2S and molecular weight 479.24 g/mol. IUPAC: 1-[3-(diethylaminomethyl)-4-ethoxyphenyl]-3-(4-pentoxyphenyl)thiourea;hydrochloride.
Chemical Property Profile of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride
Property Insights of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride
The XLogP value of 6.7268 indicates that 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide 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-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide 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-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride?
The CAS number of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride is 34458-99-6.
What is the molecular formula of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride?
The molecular formula of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride is C25H38ClN3O2S.
What is the molecular weight of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride?
The molecular weight of 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride is 479.24 g/mol.
Where can I buy 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride?
You can request a quote for 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide 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-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)methyl-4-ethoxy-4'-(pentyloxy)thiocarbanilide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.