1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea
TL;DR: 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea (CAS 879564-48-4) is a chemical compound with molecular formula C20H19ClN4O3 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
Also Known As: 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea, 1-(3-CHLOROPHENYL)-3-{[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]METHYL}-3-(PROP-2-EN-1-YL)UREA, 3-(3-chlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea, 3-(3-chlorophenyl)-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-prop-2-en-1-ylurea
| Molecular Formula | C20H19ClN4O3 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 4.6187 |
| Topological Polar Surface Area | 80.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.11456 |
| Heavy Atoms | 28 |
| Complexity | 956.0945 |
Chemical Identifiers
| CAS Number | 879564-48-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=N2)CN(CC=C)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea (CAS 879564-48-4), with molecular formula C20H19ClN4O3 and molecular weight 398.11 g/mol. IUPAC: 3-(3-chlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea.
Chemical Property Profile of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea
Property Insights of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea
The XLogP value of 4.6187 indicates that 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea. Following Lipinski's Rule of Five, 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea has 1 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-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea?
The CAS number of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea is 879564-48-4.
What is the molecular formula of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea?
The molecular formula of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea is C20H19ClN4O3.
What is the molecular weight of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea?
The molecular weight of 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea is 398.11 g/mol.
Where can I buy 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea?
You can request a quote for 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-(3-chlorophenyl)-1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.