![1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea structure](/static/products/7082/708222-83-7.webp)
1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea
TL;DR: 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea (CAS 708222-83-7) is a chemical compound with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea
Also Known As: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea, 2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]-N-(4-chlorobenzyl)hydrazinecarbothioamide, 2-(2H-benzo[3,4-d]1,3-dioxolen-5-yloxy)-N-[({[(4-chlorophenyl)methyl]amino}thi oxomethyl)amino]propanamide
| Molecular Formula | C18H18ClN3O4S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 2.5315 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.07065 |
| Heavy Atoms | 27 |
| Complexity | 831.8565 |
Chemical Identifiers
| CAS Number | 708222-83-7 |
|---|---|
| SMILES | CC(C(=O)NNC(=S)NCC1=CC=C(C=C1)Cl)OC2=CC3=C(C=C2)OCO3 |
Product Overview
1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea (CAS 708222-83-7), with molecular formula C18H18ClN3O4S and molecular weight 407.07 g/mol. IUPAC: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea.
Chemical Property Profile of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea
Property Insights of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea
The XLogP value of 2.5315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea. Following Lipinski's Rule of Five, 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]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-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea?
The CAS number of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea is 708222-83-7.
What is the molecular formula of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea?
The molecular formula of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea is C18H18ClN3O4S.
What is the molecular weight of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea?
The molecular weight of 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea is 407.07 g/mol.
Where can I buy 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea?
You can request a quote for 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]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-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(1,3-Benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.