1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea (CAS 485370-60-3) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea, A3400/0144185, 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(propan-2-yl)phenyl]thiourea, Thiourea, 1-benzo[1,3]dioxol-5-ylmethyl-3-(4-isopropylphenyl)-, N-(1,3-BENZODIOXOL-5-YLMETHYL)-N'-(4-ISOPROPYLPHENYL)THIOUREA
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 4.0253 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 698.6678 |
Chemical Identifiers
| CAS Number | 485370-60-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea (CAS 485370-60-3), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea
The XLogP value of 4.0253 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea has 2 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-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea is 485370-60-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea is C18H20N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea is 328.12 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.