2-碘去甲基丙咪嗪
TL;DR: 2-碘去甲基丙咪嗪 (CAS 104880-94-6) is a chemical compound with molecular formula C18H21IN2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-碘去甲基丙咪嗪
3-(3-(131I)iodo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Also Known As: 2-Iododesmethylimipramine, 2-Idmi, 10,11-Dihydro-2-(iodo-131I)-N-methyl-5H-dibenz(b,f)azepine-5-propanamine, 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine, 3-(3-(131I)iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
| Molecular Formula | C18H21IN2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0766 |
| Heavy Atoms | 21 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 104880-94-6 |
|---|---|
| SMILES | CNCCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[131I] |
| InChIKey | UEXDNHDACHUMOK-OWFUXLEOSA-N |
Product Overview
2-碘去甲基丙咪嗪 (CAS 104880-94-6), with molecular formula C18H21IN2 and molecular weight 396.08 g/mol. IUPAC: 3-(3-(131I)iodo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine.
Chemical Property Profile of 2-碘去甲基丙咪嗪
Property Insights of 2-碘去甲基丙咪嗪
The XLogP value of 5.6 indicates that 2-碘去甲基丙咪嗪 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 2-碘去甲基丙咪嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-碘去甲基丙咪嗪 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-碘去甲基丙咪嗪?
The CAS number of 2-碘去甲基丙咪嗪 is 104880-94-6.
What is the molecular formula of 2-碘去甲基丙咪嗪?
The molecular formula of 2-碘去甲基丙咪嗪 is C18H21IN2.
What is the molecular weight of 2-碘去甲基丙咪嗪?
The molecular weight of 2-碘去甲基丙咪嗪 is 396.08 g/mol.
Where can I buy 2-碘去甲基丙咪嗪?
You can request a quote for 2-碘去甲基丙咪嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-碘去甲基丙咪嗪?
Yes, KEHONG BIO provides custom synthesis services for 2-碘去甲基丙咪嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.