1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
TL;DR: 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea (CAS 516457-40-2) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
Also Known As: 1-(4-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea, 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(phenylamino)phenyl]thiourea, N-(4-ANILINOPHENYL)-N'-(1,3-BENZODIOXOL-5-YLMETHYL)THIOUREA, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]{[4-(phenylamino)phenyl]amino}m ethane-1-thione
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 4.6455 |
| Topological Polar Surface Area | 54.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 929.91656 |
Chemical Identifiers
| CAS Number | 516457-40-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4 |
Product Overview
1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea (CAS 516457-40-2), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 1-(4-anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
Property Insights of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
The XLogP value of 4.6455 indicates that 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.55 Ų, 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea has 3 hydrogen bond donor(s) and 4 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-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea?
The CAS number of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea is 516457-40-2.
What is the molecular formula of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea?
The molecular formula of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea is C21H19N3O2S.
What is the molecular weight of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea?
The molecular weight of 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea is 377.12 g/mol.
Where can I buy 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea?
You can request a quote for 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Anilinophenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.