1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)
TL;DR: 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) (CAS 3907-64-0) is a chemical compound with molecular formula C14H23Cl2N3S and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate;dihydrochloride
Also Known As: Carbamimidothioic acid, 1-phenyl-2-(1-piperidinyl)ethyl ester, dihydrochloride, 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2), (1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate dihydrochloride, RefChem:1056298
| Molecular Formula | C14H23Cl2N3S |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 3.68387 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.09897 |
| Heavy Atoms | 20 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 3907-64-0 |
|---|---|
| SMILES | C1CCN(CC1)CC(C2=CC=CC=C2)SC(=N)N.Cl.Cl |
| InChIKey | JPRCDFWJUVZEKP-UHFFFAOYSA-N |
Product Overview
1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) (CAS 3907-64-0), with molecular formula C14H23Cl2N3S and molecular weight 335.10 g/mol. IUPAC: (1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate;dihydrochloride.
Chemical Property Profile of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)
Property Insights of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)
The XLogP value of 3.68387 indicates that 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) 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 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) 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 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)?
The CAS number of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) is 3907-64-0.
What is the molecular formula of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular formula of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) is C14H23Cl2N3S.
What is the molecular weight of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular weight of 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) is 335.10 g/mol.
Where can I buy 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)?
You can request a quote for 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.