Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate
TL;DR: Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate (CAS 63679-86-7) is a chemical compound with molecular formula C9H21N3O4S and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-aminoethyl N'-ethylcarbamimidothioate
Also Known As: N-Ethyl-2-aminoethylisothiouronium diacetate, Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate, 2-aminoethyl n'-ethylcarbamimidothioate acetate(1:2), acetic acid; 2-aminoethyl N'-ethylcarbamimidothioate, Carbamimidothioic acid, ethyl-, 2-aminoethyl ester, diacetate
| Molecular Formula | C9H21N3O4S |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 0.19 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.12527 |
| Heavy Atoms | 17 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 63679-86-7 |
|---|---|
| SMILES | CCN=C(N)SCCN.CC(=O)O.CC(=O)O |
| InChIKey | YKCALLBPEQHFGJ-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate (CAS 63679-86-7), with molecular formula C9H21N3O4S and molecular weight 267.13 g/mol. IUPAC: acetic acid;2-aminoethyl N'-ethylcarbamimidothioate.
Chemical Property Profile of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate
Property Insights of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate. The TPSA of 164.0 Ų indicates high polarity, suggesting Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate has 4 hydrogen bond donor(s) and 7 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, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate?
The CAS number of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate is 63679-86-7.
What is the molecular formula of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate?
The molecular formula of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate is C9H21N3O4S.
What is the molecular weight of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate?
The molecular weight of Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate is 267.13 g/mol.
Where can I buy Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate?
You can request a quote for Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-aminoethyl)-N-ethyl-2-thio-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.