1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea
TL;DR: 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea (CAS 376378-17-5) is a chemical compound with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-3-prop-2-enylurea
Also Known As: 1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-3-prop-2-enylurea, 1-allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea, 1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-3-prop-2-en-1-ylurea
| Molecular Formula | C14H16N2O5 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 1.358 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.10593 |
| Heavy Atoms | 21 |
| Complexity | 584.9722 |
Chemical Identifiers
| CAS Number | 376378-17-5 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC(=O)NCC=C)OC |
Product Overview
1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea (CAS 376378-17-5), with molecular formula C14H16N2O5 and molecular weight 292.11 g/mol. IUPAC: 1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-3-prop-2-enylurea.
Chemical Property Profile of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea
Property Insights of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea
The XLogP value of 1.358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea. Following Lipinski's Rule of Five, 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea has 2 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-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea?
The CAS number of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea is 376378-17-5.
What is the molecular formula of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea?
The molecular formula of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea is C14H16N2O5.
What is the molecular weight of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea?
The molecular weight of 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea is 292.11 g/mol.
Where can I buy 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea?
You can request a quote for 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)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-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.