3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester
TL;DR: 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester (CAS 146145-21-3) is a chemical compound with molecular formula C18H24INO2 and molecular weight 413.08517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (1R,2S,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: IPCIT, RTI 121, 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester, SID:53789388, propan-2-yl (1R,2S,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Technical Specifications
| Molecular Formula | C18H24INO2 |
| Molecular Weight | 413.08517 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.08517 Da |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
| SMILES | CC(C)OC(=O)[C@@H]1[C@H]2CCC(N2C)C[C@@H]1C3=CC=C(C=C3)I |
| InChIKey | ZAQLTGAFVMGUMB-IFFAKLHKSA-N |
Chemical Property Profile of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester
Property Insights of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester
The XLogP value of 4.1 indicates that 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl 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
What is the CAS number of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester?
The CAS number of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester is 146145-21-3.
What is the molecular formula of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester?
The molecular formula of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester is C18H24INO2.
What is the molecular weight of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester?
The molecular weight of 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester is 413.08517 g/mol.
Where can I buy 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester?
You can request a quote for 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester?
Yes, CoreyChem provides custom synthesis services for 3beta-(4-Iodophenyl)tropan-2beta-carboxylic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.