Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride
TL;DR: Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride (CAS 14122-49-7) is a chemical compound with molecular formula C16H27ClN2S and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N,N'-dibutylcarbamimidothioate;hydrochloride
Also Known As: 2-Benzyl-1,3-dibutyl-2-thiopseudourea hydrochloride, Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride, benzyl N,N'-dibutylcarbamimidothioate hydrochloride, Benzyl N,N'-dibutylcarbamimidothioate--hydrogen chloride (1/1), Carbamimidothioic acid, N,N'-dibutyl-, phenylmethyl ester, monohydrochloride
| Molecular Formula | C16H27ClN2S |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 4.8874 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.15836 |
| Heavy Atoms | 20 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 14122-49-7 |
|---|---|
| SMILES | CCCCNC(=NCCCC)SCC1=CC=CC=C1.Cl |
| InChIKey | CRVWBWVKPVMKKO-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride (CAS 14122-49-7), with molecular formula C16H27ClN2S and molecular weight 314.16 g/mol. IUPAC: benzyl N,N'-dibutylcarbamimidothioate;hydrochloride.
Chemical Property Profile of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride
Property Insights of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride
The XLogP value of 4.8874 indicates that Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride has 2 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-benzyl-1,3-dibutyl-2-thio-, hydrochloride?
The CAS number of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride is 14122-49-7.
What is the molecular formula of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride?
The molecular formula of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride is C16H27ClN2S.
What is the molecular weight of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride?
The molecular weight of Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride is 314.16 g/mol.
Where can I buy Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride?
You can request a quote for Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-benzyl-1,3-dibutyl-2-thio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.