1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea
TL;DR: 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea (CAS 690688-71-2) is a chemical compound with molecular formula C11H15BrN2O2S and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(2,2-dimethoxyethyl)thiourea
Also Known As: 1-(4-bromophenyl)-3-(2,2-dimethoxyethyl)thiourea
| Molecular Formula | C11H15BrN2O2S |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | 2.3544 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.00375 |
| Heavy Atoms | 17 |
| Complexity | 354.994 |
Chemical Identifiers
| CAS Number | 690688-71-2 |
|---|---|
| SMILES | COC(CNC(=S)NC1=CC=C(C=C1)Br)OC |
Product Overview
1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea (CAS 690688-71-2), with molecular formula C11H15BrN2O2S and molecular weight 318.00 g/mol. IUPAC: 1-(4-bromophenyl)-3-(2,2-dimethoxyethyl)thiourea.
Chemical Property Profile of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea
Property Insights of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea
The XLogP value of 2.3544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea has 2 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 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea?
The CAS number of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea is 690688-71-2.
What is the molecular formula of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea?
The molecular formula of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea is C11H15BrN2O2S.
What is the molecular weight of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea?
The molecular weight of 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea is 318.00 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea?
You can request a quote for 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-(2,2-dimethoxyethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.