![1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea structure](/static/products/7012/701289-71-6.webp)
1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea (CAS 701289-71-6) is a chemical compound with molecular formula C16H13ClFN3O4S and molecular weight 397.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea, N-(1,3-benzodioxol-5-yl)-2-[(3-chloro-4-fluorophenoxy)acetyl]hydrazinecarbothioamide, N-{[(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)thioxomethyl]amino}-2-(3-chloro-4-f luorophenoxy)acetamide
| Molecular Formula | C16H13ClFN3O4S |
|---|---|
| Molecular Weight | 397.03 g/mol |
| LogP | 2.6044 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.02994 |
| Heavy Atoms | 26 |
| Complexity | 852.23975 |
Chemical Identifiers
| CAS Number | 701289-71-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)COC3=CC(=C(C=C3)F)Cl |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea (CAS 701289-71-6), with molecular formula C16H13ClFN3O4S and molecular weight 397.03 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea
The XLogP value of 2.6044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea has 3 hydrogen bond donor(s) and 5 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-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea is 701289-71-6.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea is C16H13ClFN3O4S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea is 397.03 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]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-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.