3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester
TL;DR: 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester (CAS 146145-22-4) is a chemical compound with molecular formula C21H22INO2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (1R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Rti 122, 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester, phenyl (1R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-iodophenyl)-8-methyl-, phenyl ester, (1R-(exo,exo))-, Phenyl 3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
| Molecular Formula | C21H22INO2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.06952 |
| Heavy Atoms | 25 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 146145-22-4 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CC(C2C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)I |
| InChIKey | YGQAUDOSACJSSX-KZJURKFRSA-N |
Product Overview
3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester (CAS 146145-22-4), with molecular formula C21H22INO2 and molecular weight 447.07 g/mol. IUPAC: phenyl (1R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester
Property Insights of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester
The XLogP value of 4.8 indicates that 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl 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, 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl 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 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester?
The CAS number of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester is 146145-22-4.
What is the molecular formula of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester?
The molecular formula of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester is C21H22INO2.
What is the molecular weight of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester?
The molecular weight of 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester is 447.07 g/mol.
Where can I buy 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester?
You can request a quote for 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Iodophenyl)tropan-2beta-carboxylic acid phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.