RefChem:375666
TL;DR: RefChem:375666 (CAS 14122-44-2) is a chemical compound with molecular formula C19H39Cl2N3S and molecular weight 411.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidothioate;dihydrochloride
Also Known As: Pseudourea, 1,3-dicyclohexyl-2-(2-(N,N-diethylamino)ethyl)-2-thio-, dihydrochloride, 1,3-Dicyclohexyl-2-(2-(N,N-diethylamino)ethyl)-2-thiopseudoureadihydrochloride, 2-diethylaminoethyl N,N'-dicyclohexylcarbamimidothioate dihydrochloride, 2-(Diethylamino)ethyl N,N'-dicyclohexylcarbamimidothioate--hydrogen chloride (1/2), Carbamimidothioic acid, N,N'-dicyclohexyl-, 2-(diethylamino)ethyl ester, dihydrochloride
| Molecular Formula | C19H39Cl2N3S |
|---|---|
| Molecular Weight | 411.22 g/mol |
| LogP | 5.516 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.22418 |
| Heavy Atoms | 25 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 14122-44-2 |
|---|---|
| SMILES | CCN(CC)CCSC(=NC1CCCCC1)NC2CCCCC2.Cl.Cl |
| InChIKey | NVGDSRRMKGTQMR-UHFFFAOYSA-N |
Product Overview
RefChem:375666 (CAS 14122-44-2), with molecular formula C19H39Cl2N3S and molecular weight 411.22 g/mol. IUPAC: 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidothioate;dihydrochloride.
Chemical Property Profile of RefChem:375666
Property Insights of RefChem:375666
The XLogP value of 5.516 indicates that RefChem:375666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, RefChem:375666 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:375666 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:375666?
The CAS number of RefChem:375666 is 14122-44-2.
What is the molecular formula of RefChem:375666?
The molecular formula of RefChem:375666 is C19H39Cl2N3S.
What is the molecular weight of RefChem:375666?
The molecular weight of RefChem:375666 is 411.22 g/mol.
Where can I buy RefChem:375666?
You can request a quote for RefChem:375666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:375666?
Yes, KEHONG BIO provides custom synthesis services for RefChem:375666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.