Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride
TL;DR: Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride (CAS 64039-30-1) is a chemical compound with molecular formula C11H16ClN3OS and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(phenacylamino) N'-ethylcarbamimidothioate;hydrochloride
Also Known As: 2-Phenacylamino-1-ethylisothiourea hydrochloride, Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride, Pseudourea, 2-phenacylamino-1-ethyl-2-thio-, hydrochloride, (phenacylamino) N'-ethylcarbamimidothioate hydrochloride, (phenacylamino) N'-ethylcarbamimidothioate,hydrochloride
| Molecular Formula | C11H16ClN3OS |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 1.86 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.07025 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 64039-30-1 |
|---|---|
| SMILES | CCN=C(N)SNCC(=O)C1=CC=CC=C1.Cl |
| InChIKey | PDLXGGRUTQFAJX-UHFFFAOYSA-N |
Product Overview
Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride (CAS 64039-30-1), with molecular formula C11H16ClN3OS and molecular weight 273.07 g/mol. IUPAC: (phenacylamino) N'-ethylcarbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride
Property Insights of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride
The XLogP value of 1.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride. Following Lipinski's Rule of Five, Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride has 3 hydrogen bond donor(s) and 4 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-ethyl-2-phenacylamino-2-thio-, hydrochloride?
The CAS number of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride is 64039-30-1.
What is the molecular formula of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride?
The molecular formula of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride is C11H16ClN3OS.
What is the molecular weight of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride?
The molecular weight of Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride is 273.07 g/mol.
Where can I buy Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride?
You can request a quote for Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 1-ethyl-2-phenacylamino-2-thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.