p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester
TL;DR: p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester (CAS 63170-65-0) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dimethylaminomethylideneamino)benzoate
Also Known As: p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester, N'-(p-Carboethoxyphenyl)-N,N-dimethyl formamidine, ethyl 4-(dimethylaminomethylideneamino)benzoate, ethyl 4-{[(dimethylamino)methylidene]amino}benzoate, BENZOIC ACID, p-(((DIMETHYLAMINO)METHYLENE)AMINO)-, ETHYL ESTER
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 63170-65-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CN(C)C |
| InChIKey | GHHKNAGPUBEDLN-UHFFFAOYSA-N |
Product Overview
p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester (CAS 63170-65-0), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: ethyl 4-(dimethylaminomethylideneamino)benzoate.
Chemical Property Profile of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester
Property Insights of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester. With a topological polar surface area (TPSA) of 41.9 Ų, p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester has 0 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 p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester?
The CAS number of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester is 63170-65-0.
What is the molecular formula of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester?
The molecular formula of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester is C12H16N2O2.
What is the molecular weight of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester?
The molecular weight of p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester is 220.12 g/mol.
Where can I buy p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester?
You can request a quote for p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-(((Dimethylamino)methylene)amino)benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.