4-Iodotomoxetine
TL;DR: 4-Iodotomoxetine (CAS 142997-58-8) is a chemical compound with molecular formula C17H20INO and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-(4-(125I)iodo-2-methylphenoxy)-N-methyl-3-phenylpropan-1-amine
Also Known As: 4-Iodotomoxetine, 4-I-Tmt, R-4-I-Tmt, (125I)R-4-Iodotomoxetine, 3-(4-iodo-2-methylphenoxy)-N-methyl-3-phenylpropan-1-amine
| Molecular Formula | C17H20INO |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0591 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 142997-58-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[125I])O[C@H](CCNC)C2=CC=CC=C2 |
| InChIKey | QECBYSWGSWJZPS-BLGMQBIPSA-N |
Product Overview
4-Iodotomoxetine (CAS 142997-58-8), with molecular formula C17H20INO and molecular weight 379.06 g/mol. IUPAC: (3R)-3-(4-(125I)iodo-2-methylphenoxy)-N-methyl-3-phenylpropan-1-amine.
Chemical Property Profile of 4-Iodotomoxetine
Property Insights of 4-Iodotomoxetine
The XLogP value of 4.4 indicates that 4-Iodotomoxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 4-Iodotomoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodotomoxetine has 1 hydrogen bond donor(s) and 2 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 4-Iodotomoxetine?
The CAS number of 4-Iodotomoxetine is 142997-58-8.
What is the molecular formula of 4-Iodotomoxetine?
The molecular formula of 4-Iodotomoxetine is C17H20INO.
What is the molecular weight of 4-Iodotomoxetine?
The molecular weight of 4-Iodotomoxetine is 379.06 g/mol.
Where can I buy 4-Iodotomoxetine?
You can request a quote for 4-Iodotomoxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodotomoxetine?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodotomoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.