3-(Dimethylamino)propyl 2-iodobenzoate
TL;DR: 3-(Dimethylamino)propyl 2-iodobenzoate (CAS 488796-50-5) is a chemical compound with molecular formula C12H16INO2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 2-iodobenzoate
Also Known As: 3-(dimethylamino)propyl 2-iodobenzoate, AO-365/40892285
| Molecular Formula | C12H16INO2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 2.3997 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.02258 |
| Heavy Atoms | 16 |
| Complexity | 352.62692 |
Chemical Identifiers
| CAS Number | 488796-50-5 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=CC=CC=C1I |
Product Overview
3-(Dimethylamino)propyl 2-iodobenzoate (CAS 488796-50-5), with molecular formula C12H16INO2 and molecular weight 333.02 g/mol. IUPAC: 3-(dimethylamino)propyl 2-iodobenzoate.
Chemical Property Profile of 3-(Dimethylamino)propyl 2-iodobenzoate
Property Insights of 3-(Dimethylamino)propyl 2-iodobenzoate
The XLogP value of 2.3997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 2-iodobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(Dimethylamino)propyl 2-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 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 3-(Dimethylamino)propyl 2-iodobenzoate?
The CAS number of 3-(Dimethylamino)propyl 2-iodobenzoate is 488796-50-5.
What is the molecular formula of 3-(Dimethylamino)propyl 2-iodobenzoate?
The molecular formula of 3-(Dimethylamino)propyl 2-iodobenzoate is C12H16INO2.
What is the molecular weight of 3-(Dimethylamino)propyl 2-iodobenzoate?
The molecular weight of 3-(Dimethylamino)propyl 2-iodobenzoate is 333.02 g/mol.
Where can I buy 3-(Dimethylamino)propyl 2-iodobenzoate?
You can request a quote for 3-(Dimethylamino)propyl 2-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)propyl 2-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 2-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.