Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride
TL;DR: Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride (CAS 14122-34-0) is a chemical compound with molecular formula C12H19ClN2S and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylpentyl carbamimidothioate;hydrochloride
Also Known As: 2-(5-Phenylpentyl)-2-thiopseudourea hydrochloride, Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride, 5-phenylpentyl carbamimidothioate hydrochloride, 5-phenylpentyl carbamimidothioate,hydrochloride, 5-Phenylpentyl carbamimidothioate--hydrogen chloride (1/1)
| Molecular Formula | C12H19ClN2S |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 3.44787 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.09573 |
| Heavy Atoms | 16 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 14122-34-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCSC(=N)N.Cl |
| InChIKey | NOWOZSGPIGGUJL-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride (CAS 14122-34-0), with molecular formula C12H19ClN2S and molecular weight 258.10 g/mol. IUPAC: 5-phenylpentyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride
Property Insights of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride
The XLogP value of 3.44787 indicates that Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride. Following Lipinski's Rule of Five, Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride has 3 hydrogen bond donor(s) and 2 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-(5-phenylpentyl)-2-thio-, monohydrochloride?
The CAS number of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride is 14122-34-0.
What is the molecular formula of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride?
The molecular formula of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride is C12H19ClN2S.
What is the molecular weight of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride?
The molecular weight of Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride is 258.10 g/mol.
Where can I buy Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride?
You can request a quote for Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(5-phenylpentyl)-2-thio-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.