![1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea structure](/static/products/228/22862-92-6.png)
1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
TL;DR: 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea (CAS 22862-92-6) is a chemical compound with molecular formula C21H28N2OS2 and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-pentoxyphenyl)methylsulfanyl]ethyl]-3-phenylthiourea
Also Known As: 1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea, 1-[2-[(4-pentoxyphenyl)methylsulfanyl]ethyl]-3-phenylthiourea, 1-(2-((4-(pentyloxy)benzyl)thio)ethyl)-3-phenylthiourea, 1-(2-{[4-(pentyloxy)benzyl]sulfanyl}ethyl)-3-phenylthiourea, 1-[2-(4-Pentyloxy-benzylsulfanyl)-ethyl]-3-phenyl-thiourea
| Molecular Formula | C21H28N2OS2 |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 5.4754 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 388.1643 |
| Heavy Atoms | 26 |
| Complexity | 632.2192 |
Chemical Identifiers
| CAS Number | 22862-92-6 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2 |
Product Overview
1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea (CAS 22862-92-6), with molecular formula C21H28N2OS2 and molecular weight 388.16 g/mol. IUPAC: 1-[2-[(4-pentoxyphenyl)methylsulfanyl]ethyl]-3-phenylthiourea.
Chemical Property Profile of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
Property Insights of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
The XLogP value of 5.4754 indicates that 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea has 2 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 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea?
The CAS number of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea is 22862-92-6.
What is the molecular formula of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea?
The molecular formula of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea is C21H28N2OS2.
What is the molecular weight of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea?
The molecular weight of 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea is 388.16 g/mol.
Where can I buy 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea?
You can request a quote for 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.