N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate
TL;DR: N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate (CAS 75883-59-9) is a chemical compound with molecular formula C19H25N3O9 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea;oxalic acid
Also Known As: N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate, Urea, 1-(4,7-dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-3-methyl-, oxalate, hydrate (3:3:4), 1-[6-(2-Azetidin-1-yl-ethoxy)-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea; compound with oxalic acid, 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea; oxalic acid, Oxalic acid--N-{6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}-N'-methylcarbamimidic acid (1/1)
| Molecular Formula | C19H25N3O9 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 1.4414 |
| Topological Polar Surface Area | 159.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1591 |
| Heavy Atoms | 31 |
| Complexity | 925.3368 |
Chemical Identifiers
| CAS Number | 75883-59-9 |
|---|---|
| SMILES | CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCC3)OC)OC=C2)OC.C(=O)(C(=O)O)O |
Product Overview
N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate (CAS 75883-59-9), with molecular formula C19H25N3O9 and molecular weight 439.16 g/mol. IUPAC: 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea;oxalic acid.
Chemical Property Profile of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate
Property Insights of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate
The XLogP value of 1.4414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate. The TPSA of 159.8 Ų indicates high polarity, suggesting N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate has 4 hydrogen bond donor(s) and 8 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 N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate?
The CAS number of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate is 75883-59-9.
What is the molecular formula of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate?
The molecular formula of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate is C19H25N3O9.
What is the molecular weight of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate?
The molecular weight of N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate is 439.16 g/mol.
Where can I buy N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate?
You can request a quote for N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate?
Yes, KEHONG BIO provides custom synthesis services for N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.