2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate
TL;DR: 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate (CAS 321686-45-7) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-(3-imino-1H-isoindol-2-yl)benzoate
Also Known As: IFLab1_000178, IDI1_008397, 2-(dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate, F0014-0812, 2-(dimethylamino)ethyl 4-(1-imino-2,3-dihydro-1H-isoindol-2-yl)benzoate
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.75057 |
| Topological Polar Surface Area | 56.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 753.46216 |
Chemical Identifiers
| CAS Number | 321686-45-7 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N |
Product Overview
2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate (CAS 321686-45-7), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-(3-imino-1H-isoindol-2-yl)benzoate.
Chemical Property Profile of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate
Property Insights of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate
The XLogP value of 2.75057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate. With a topological polar surface area (TPSA) of 56.63 Ų, 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)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 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate?
The CAS number of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate is 321686-45-7.
What is the molecular formula of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate?
The molecular formula of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate is C19H21N3O2.
What is the molecular weight of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate?
The molecular weight of 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate is 323.16 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate?
You can request a quote for 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 4-(1-iminoisoindolin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.