![1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea structure](/static/products/5164/516458-71-2.webp)
1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea
TL;DR: 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea (CAS 516458-71-2) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-anilinophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
Also Known As: 1-(2-methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea, 1-(2-methoxybenzyl)-3-(4-(phenylamino)phenyl)thiourea, 1-(4-anilinophenyl)-3-[(2-methoxyphenyl)methyl]thiourea, N-(4-ANILINOPHENYL)-N'-(2-METHOXYBENZYL)THIOUREA, {[(2-methoxyphenyl)methyl]amino}{[4-(phenylamino)phenyl]amino}methane-1-thione
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.9254 |
| Topological Polar Surface Area | 45.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 850.64484 |
Chemical Identifiers
| CAS Number | 516458-71-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 |
Product Overview
1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea (CAS 516458-71-2), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 1-(4-anilinophenyl)-3-[(2-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea
Property Insights of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea
The XLogP value of 4.9254 indicates that 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.32 Ų, 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea has 3 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-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea?
The CAS number of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea is 516458-71-2.
What is the molecular formula of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea?
The molecular formula of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea is C21H21N3OS.
What is the molecular weight of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea?
The molecular weight of 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea is 363.14 g/mol.
Where can I buy 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea?
You can request a quote for 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxybenzyl)-3-[4-(phenylamino)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.