Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
TL;DR: Ethyl 4-(4-(dimethylamino)benzylamino)benzoate (CAS 64261-07-0) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(dimethylamino)phenyl]methylamino]benzoate
Also Known As: ChemDiv3_004286, Ethyl 4-((4-(dimethylamino)benzyl)amino)benzoate, Benzoic acid, 4-[[[4-(dimethylamino)phenyl]methyl]amino]-, ethyl ester, ethyl 4-{[4-(dimethylamino)benzyl]amino}benzoate, IDI1_022196
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 3.5414 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 603.9892 |
Chemical Identifiers
| CAS Number | 64261-07-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(C)C |
Product Overview
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate (CAS 64261-07-0), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: ethyl 4-[[4-(dimethylamino)phenyl]methylamino]benzoate.
Chemical Property Profile of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
Property Insights of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
The XLogP value of 3.5414 indicates that Ethyl 4-(4-(dimethylamino)benzylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 4-(4-(dimethylamino)benzylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-(dimethylamino)benzylamino)benzoate has 1 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-(4-(dimethylamino)benzylamino)benzoate?
The CAS number of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate is 64261-07-0.
What is the molecular formula of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate?
The molecular formula of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate is C18H22N2O2.
What is the molecular weight of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate?
The molecular weight of Ethyl 4-(4-(dimethylamino)benzylamino)benzoate is 298.17 g/mol.
Where can I buy Ethyl 4-(4-(dimethylamino)benzylamino)benzoate?
You can request a quote for Ethyl 4-(4-(dimethylamino)benzylamino)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-(4-(dimethylamino)benzylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-(dimethylamino)benzylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.