Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride
TL;DR: Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride (CAS 63680-35-3) is a chemical compound with molecular formula C17H23Cl2N3S and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibenzylamino)ethyl carbamimidothioate;dihydrochloride
Also Known As: 1-Isothiourea-2-dibenzylaminoethane dihydrochloride, Dibenzylamine, N-(2-(amidinothio)ethyl)-, dihydrochloride, 2-(dibenzylamino)ethyl carbamimidothioate dihydrochloride, Ethylamine, 1-(amidinothio)-N,N-dibenzyl-, dihydrochloride, Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride
| Molecular Formula | C17H23Cl2N3S |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 4.16 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.09897 |
| Heavy Atoms | 23 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 63680-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCSC(=N)N)CC2=CC=CC=C2.Cl.Cl |
| InChIKey | JJMJWLQYWFGIAB-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride (CAS 63680-35-3), with molecular formula C17H23Cl2N3S and molecular weight 371.10 g/mol. IUPAC: 2-(dibenzylamino)ethyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride
Property Insights of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride
The XLogP value of 4.16 indicates that Pseudourea, 2-(2-(dibenzylamino)ethyl)-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-(dibenzylamino)ethyl)-2-thio-, dihydrochloride. Following Lipinski's Rule of Five, Pseudourea, 2-(2-(dibenzylamino)ethyl)-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-(dibenzylamino)ethyl)-2-thio-, dihydrochloride?
The CAS number of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride is 63680-35-3.
What is the molecular formula of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride?
The molecular formula of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride is C17H23Cl2N3S.
What is the molecular weight of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride?
The molecular weight of Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride is 371.10 g/mol.
Where can I buy Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride?
You can request a quote for Pseudourea, 2-(2-(dibenzylamino)ethyl)-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-(dibenzylamino)ethyl)-2-thio-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-(dibenzylamino)ethyl)-2-thio-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.