2-(5-chloro-1-benzothiophen-3-yl)ethylurea
TL;DR: 2-(5-chloro-1-benzothiophen-3-yl)ethylurea (CAS 27566-65-0) is a chemical compound with molecular formula C20H28ClN5 and molecular weight 373.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine
Also Known As: 2-(5-chloro-1-benzothiophen-3-yl)ethylurea, 5-[1-(4-chlorophenyl)-2-methylprop-1-en-1-yl]-n-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine, 5-[1-(4-Chlorophenyl)-2-methylprop-1-en-1-yl]-6-{[2-(diethylamino)ethyl]imino}-1,6-dihydropyrimidin-4-amine, 5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-(2-diethylaminoethyl)pyrimidine-4,6-diamine, 5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine
| Molecular Formula | C20H28ClN5 |
|---|---|
| Molecular Weight | 373.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.20334 |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 27566-65-0 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC=NC(=C1C(=C(C)C)C2=CC=C(C=C2)Cl)N |
| InChIKey | WULRUKKAJJSYDT-UHFFFAOYSA-N |
Product Overview
2-(5-chloro-1-benzothiophen-3-yl)ethylurea (CAS 27566-65-0), with molecular formula C20H28ClN5 and molecular weight 373.20 g/mol. IUPAC: 5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine.
Chemical Property Profile of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea
Property Insights of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea
The XLogP value of 5.1 indicates that 2-(5-chloro-1-benzothiophen-3-yl)ethylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-1-benzothiophen-3-yl)ethylurea. Following Lipinski's Rule of Five, 2-(5-chloro-1-benzothiophen-3-yl)ethylurea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea?
The CAS number of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea is 27566-65-0.
What is the molecular formula of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea?
The molecular formula of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea is C20H28ClN5.
What is the molecular weight of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea?
The molecular weight of 2-(5-chloro-1-benzothiophen-3-yl)ethylurea is 373.20 g/mol.
Where can I buy 2-(5-chloro-1-benzothiophen-3-yl)ethylurea?
You can request a quote for 2-(5-chloro-1-benzothiophen-3-yl)ethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-1-benzothiophen-3-yl)ethylurea?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-1-benzothiophen-3-yl)ethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.