![1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea structure](/static/products/1005/1005653-01-9.webp)
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
TL;DR: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005653-01-9) is a chemical compound with molecular formula C19H17FN4O2S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]thiourea, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[1-(3-FLUOROBENZYL)-1H-PYRAZOL-4-YL]THIOUREA
| Molecular Formula | C19H17FN4O2S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.6506 |
| Topological Polar Surface Area | 60.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.10562 |
| Heavy Atoms | 27 |
| Complexity | 975.84845 |
Chemical Identifiers
| CAS Number | 1005653-01-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CN(N=C3)CC4=CC(=CC=C4)F |
Product Overview
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005653-01-9), with molecular formula C19H17FN4O2S and molecular weight 384.11 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea.
Chemical Property Profile of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
Property Insights of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
The XLogP value of 3.6506 indicates that 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea has 2 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea?
The CAS number of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea is 1005653-01-9.
What is the molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea?
The molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea is C19H17FN4O2S.
What is the molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea?
The molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea is 384.11 g/mol.
Where can I buy 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea?
You can request a quote for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.