N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid
TL;DR: N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid (CAS 59629-49-1) is a chemical compound with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylhexyl)-3-(4-oxochromen-2-yl)urea
Also Known As: N-(2-Ethylhexyl)-N'-(4-oxo-4H-1-benzopyran-2-yl)urea, 1-(2-ethylhexyl)-3-(4-oxochromen-2-yl)urea, Urea, N-(2-ethylhexyl)-N'-(4-oxo-4H-1-benzopyran-2-yl)-, N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid, RefChem:1090136
| Molecular Formula | C18H24N2O3 |
|---|---|
| Molecular Weight | 316.18 g/mol |
| LogP | 4.1309 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.17868 |
| Heavy Atoms | 23 |
| Complexity | 708.72406 |
Chemical Identifiers
| CAS Number | 59629-49-1 |
|---|---|
| SMILES | CCCCC(CC)CNC(=O)NC1=CC(=O)C2=CC=CC=C2O1 |
Product Overview
N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid (CAS 59629-49-1), with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol. IUPAC: 1-(2-ethylhexyl)-3-(4-oxochromen-2-yl)urea.
Chemical Property Profile of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid
Property Insights of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid
The XLogP value of 4.1309 indicates that N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid. Following Lipinski's Rule of Five, N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid has 2 hydrogen bond donor(s) and 3 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'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid?
The CAS number of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid is 59629-49-1.
What is the molecular formula of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid?
The molecular formula of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid is C18H24N2O3.
What is the molecular weight of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid?
The molecular weight of N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid is 316.18 g/mol.
Where can I buy N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid?
You can request a quote for N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Ethylhexyl)-N-(4-oxo-4H-1-benzopyran-2-yl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.