Clorcinnazine dihydrochloride
TL;DR: Clorcinnazine dihydrochloride (CAS 39245-23-3) is a chemical compound with molecular formula C26H29Cl3N2 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)-phenylmethyl]-4-(3-phenylprop-2-enyl)piperazine;dihydrochloride
Also Known As: Clorcinnazine dihydrochloride, 4-cinnamyl-1-[benzyl]piperazinedihydrochloride
| Molecular Formula | C26H29Cl3N2 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 6.604 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.13962 |
| Heavy Atoms | 31 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 39245-23-3 |
|---|---|
| SMILES | C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl |
| InChIKey | YFQRGPYJACKPRU-UHFFFAOYSA-N |
Product Overview
Clorcinnazine dihydrochloride (CAS 39245-23-3), with molecular formula C26H29Cl3N2 and molecular weight 474.14 g/mol. IUPAC: 1-[(4-chlorophenyl)-phenylmethyl]-4-(3-phenylprop-2-enyl)piperazine;dihydrochloride.
Chemical Property Profile of Clorcinnazine dihydrochloride
Property Insights of Clorcinnazine dihydrochloride
The XLogP value of 6.604 indicates that Clorcinnazine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Clorcinnazine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clorcinnazine dihydrochloride has 2 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 Clorcinnazine dihydrochloride?
The CAS number of Clorcinnazine dihydrochloride is 39245-23-3.
What is the molecular formula of Clorcinnazine dihydrochloride?
The molecular formula of Clorcinnazine dihydrochloride is C26H29Cl3N2.
What is the molecular weight of Clorcinnazine dihydrochloride?
The molecular weight of Clorcinnazine dihydrochloride is 474.14 g/mol.
Where can I buy Clorcinnazine dihydrochloride?
You can request a quote for Clorcinnazine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clorcinnazine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Clorcinnazine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.