2-(Diethylamino)ethyl 2-iodobenzoate
TL;DR: 2-(Diethylamino)ethyl 2-iodobenzoate (CAS 741996-24-7) is a chemical compound with molecular formula C13H18INO2 and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-iodobenzoate
Also Known As: 2-(diethylamino)ethyl 2-iodobenzoate, 2-diethylaminoethyl 2-iodobenzoate, AO-365/03748028
| Molecular Formula | C13H18INO2 |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.7898 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.03824 |
| Heavy Atoms | 17 |
| Complexity | 364.19202 |
Chemical Identifiers
| CAS Number | 741996-24-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1I |
Product Overview
2-(Diethylamino)ethyl 2-iodobenzoate (CAS 741996-24-7), with molecular formula C13H18INO2 and molecular weight 347.04 g/mol. IUPAC: 2-(diethylamino)ethyl 2-iodobenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 2-iodobenzoate
Property Insights of 2-(Diethylamino)ethyl 2-iodobenzoate
The XLogP value of 2.7898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 2-iodobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 2-(Diethylamino)ethyl 2-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 2-iodobenzoate 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 2-(Diethylamino)ethyl 2-iodobenzoate?
The CAS number of 2-(Diethylamino)ethyl 2-iodobenzoate is 741996-24-7.
What is the molecular formula of 2-(Diethylamino)ethyl 2-iodobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 2-iodobenzoate is C13H18INO2.
What is the molecular weight of 2-(Diethylamino)ethyl 2-iodobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 2-iodobenzoate is 347.04 g/mol.
Where can I buy 2-(Diethylamino)ethyl 2-iodobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 2-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.