Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate
TL;DR: Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate (CAS 774194-86-4) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(oxolan-2-ylmethylcarbamoylamino)benzoate
Also Known As: Ethyl 4-(oxolan-2-ylmethylcarbamoylamino)benzoate, ethyl 4-(3-((tetrahydrofuran-2-yl)methyl)ureido)benzoate, ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate, ethyl 4-{[(tetrahydrofuran-2-ylmethyl)carbamoyl]amino}benzoate, ETHYL 4-({[(TETRAHYDRO-2-FURANYLMETHYL)AMINO]CARBONYL}AMINO)BENZOATE
| Molecular Formula | C15H20N2O4 |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 2.1638 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.1423 |
| Heavy Atoms | 21 |
| Complexity | 480.9519 |
Chemical Identifiers
| CAS Number | 774194-86-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2CCCO2 |
Product Overview
Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate (CAS 774194-86-4), with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol. IUPAC: ethyl 4-(oxolan-2-ylmethylcarbamoylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate
Property Insights of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate
The XLogP value of 2.1638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate has 2 hydrogen bond donor(s) and 4 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 Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate?
The CAS number of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate is 774194-86-4.
What is the molecular formula of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate?
The molecular formula of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate is C15H20N2O4.
What is the molecular weight of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate?
The molecular weight of Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate is 292.14 g/mol.
Where can I buy Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate?
You can request a quote for Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(oxolan-2-ylmethyl)amino]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.