Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide
TL;DR: Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide (CAS 14153-85-6) is a chemical compound with molecular formula C17H21BrN2S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N'-dibenzylcarbamimidothioate;hydrobromide
Also Known As: 1,3-Dibenzyl-2-ethyl-2-thiopseudourea hydrobromide, Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide, ethyl N,N'-dibenzylcarbamimidothioate hydrobromide, Ethyl N,N'-dibenzylcarbamimidothioate--hydrogen bromide (1/1), Carbamimidothioic acid, N,N'-bis(phenylmethyl)-, ethyl ester, monohydrobromide
| Molecular Formula | C17H21BrN2S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 4.6634 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.06088 |
| Heavy Atoms | 21 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 14153-85-6 |
|---|---|
| SMILES | CCSC(=NCC1=CC=CC=C1)NCC2=CC=CC=C2.Br |
| InChIKey | AUFXXWWUVMQKFF-UHFFFAOYSA-N |
Product Overview
Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide (CAS 14153-85-6), with molecular formula C17H21BrN2S and molecular weight 364.06 g/mol. IUPAC: ethyl N,N'-dibenzylcarbamimidothioate;hydrobromide.
Chemical Property Profile of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide
Property Insights of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide
The XLogP value of 4.6634 indicates that Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide has 2 hydrogen bond donor(s) and 2 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 Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide?
The CAS number of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide is 14153-85-6.
What is the molecular formula of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide?
The molecular formula of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide is C17H21BrN2S.
What is the molecular weight of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide?
The molecular weight of Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide is 364.06 g/mol.
Where can I buy Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide?
You can request a quote for Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.