3-Chloroiminodibenzyl
TL;DR: 3-Chloroiminodibenzyl (CAS 32943-25-2) is a chemical compound with molecular formula C14H12ClN and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6,11-dihydro-5H-benzo[b][1]benzazepine
Also Known As: 3-Chloroiminodibenzyl, 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine, Desalkylclomipramine, Clomipramine Impurity F, Boc-His(Trt)-OH
| Molecular Formula | C14H12ClN |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.06583 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
| Solubility | <0.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 32943-25-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl |
| InChIKey | MHUXTOYYIDFXRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroiminodibenzyl (CAS 32943-25-2), with molecular formula C14H12ClN and molecular weight 229.07 g/mol. IUPAC: 2-chloro-6,11-dihydro-5H-benzo[b][1]benzazepine.
Chemical Property Profile of 3-Chloroiminodibenzyl
Property Insights of 3-Chloroiminodibenzyl
The XLogP value of 4.4 indicates that 3-Chloroiminodibenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-Chloroiminodibenzyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroiminodibenzyl has 1 hydrogen bond donor(s) and 1 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-Chloroiminodibenzyl?
The CAS number of 3-Chloroiminodibenzyl is 32943-25-2.
What is the molecular formula of 3-Chloroiminodibenzyl?
The molecular formula of 3-Chloroiminodibenzyl is C14H12ClN.
What is the molecular weight of 3-Chloroiminodibenzyl?
The molecular weight of 3-Chloroiminodibenzyl is 229.07 g/mol.
Where can I buy 3-Chloroiminodibenzyl?
You can request a quote for 3-Chloroiminodibenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroiminodibenzyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroiminodibenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.