Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride
TL;DR: Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride (CAS 63680-41-1) is a chemical compound with molecular formula C11H27Cl2N3S and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-methylpropyl)amino]ethyl carbamimidothioate;dihydrochloride
Also Known As: hydrobromide, beta-Diisobutylaminoethylisothiourea dihydrochloride, 2-(Diisobutylamino)ethyl carbamimidothioate dihydrochloride, Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride, 2-[bis(2-methylpropyl)amino]ethyl carbamimidothioate dihydrochloride
| Molecular Formula | C11H27Cl2N3S |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 3.07 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.13028 |
| Heavy Atoms | 17 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 63680-41-1 |
|---|---|
| SMILES | CC(C)CN(CCSC(=N)N)CC(C)C.Cl.Cl |
| InChIKey | HAHCKTYYQKDEEQ-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride (CAS 63680-41-1), with molecular formula C11H27Cl2N3S and molecular weight 303.13 g/mol. IUPAC: 2-[bis(2-methylpropyl)amino]ethyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride
Property Insights of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride
The XLogP value of 3.07 indicates that Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride. Following Lipinski's Rule of Five, Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride has 4 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 Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride?
The CAS number of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride is 63680-41-1.
What is the molecular formula of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride?
The molecular formula of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride is C11H27Cl2N3S.
What is the molecular weight of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride?
The molecular weight of Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride is 303.13 g/mol.
Where can I buy Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride?
You can request a quote for Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride 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-diisobutylaminoethyl)-2-thio-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-diisobutylaminoethyl)-2-thio-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.