N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane
TL;DR: N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane (CAS 155509-53-8) is a chemical compound with molecular formula C18H21ClINO2 and molecular weight 445.03055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-[(Z)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Nipcomoct, Iodine-123-ipt, (123I)Ipt, 4-hydroxymethylphenoxyallylacetate, N-(3-Iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane
Technical Specifications
| Molecular Formula | C18H21ClINO2 |
| Molecular Weight | 445.03055 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.03055 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C\I)C[C@@H]1C3=CC=C(C=C3)Cl |
| InChIKey | NHXMCNVSIJECMD-NQRVDGKMSA-N |
Chemical Property Profile of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane
Property Insights of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane
The XLogP value of 4.4 indicates that N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane 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 N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane?
The CAS number of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane is 155509-53-8.
What is the molecular formula of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane?
The molecular formula of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane is C18H21ClINO2.
What is the molecular weight of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane?
The molecular weight of N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane is 445.03055 g/mol.
Where can I buy N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane?
You can request a quote for N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane?
Yes, CoreyChem provides custom synthesis services for N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.