Nipcomoct
TL;DR: Nipcomoct (CAS 155509-52-7) 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-(3-iodoprop-2-enyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Nipcomoct, Iodine-123-ipt, (123I)Ipt, N-(3-Iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane, 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(4-chlorophenyl)-8-(3-iodo-2-propenyl)-, methyl ester, [1R-[1a,2a,3a,5a,8(Z)]]- (9CI)
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](N2CC=CI)C[C@@H]1C3=CC=C(C=C3)Cl |
| InChIKey | NHXMCNVSIJECMD-HZMVEIRTSA-N |
Chemical Property Profile of Nipcomoct
Property Insights of Nipcomoct
The XLogP value of 4.4 indicates that Nipcomoct is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Nipcomoct exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nipcomoct 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 Nipcomoct?
The CAS number of Nipcomoct is 155509-52-7.
What is the molecular formula of Nipcomoct?
The molecular formula of Nipcomoct is C18H21ClINO2.
What is the molecular weight of Nipcomoct?
The molecular weight of Nipcomoct is 445.03055 g/mol.
Where can I buy Nipcomoct?
You can request a quote for Nipcomoct directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nipcomoct?
Yes, CoreyChem provides custom synthesis services for Nipcomoct and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.