Bentipimine
TL;DR: Bentipimine (CAS 17692-23-8) is a chemical compound with molecular formula C27H31ClN2S and molecular weight 450.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-[(2-methylphenyl)methyl]piperazine
Also Known As: Bentipimine, Bentipimina, Bentipiminum, Bentipimine [INN], 1-[2-[(2-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-[(2-methylphenyl)methyl]piperazine
| Molecular Formula | C27H31ClN2S |
|---|---|
| Molecular Weight | 450.19 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.18964 |
| Heavy Atoms | 31 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 17692-23-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCN(CC2)CCSC(C3=CC=CC=C3)C4=CC=CC=C4Cl |
| InChIKey | KIPJSVIZACGFEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bentipimine (CAS 17692-23-8), with molecular formula C27H31ClN2S and molecular weight 450.19 g/mol. IUPAC: 1-[2-[(2-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-[(2-methylphenyl)methyl]piperazine.
Chemical Property Profile of Bentipimine
Property Insights of Bentipimine
The XLogP value of 6.4 indicates that Bentipimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, Bentipimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bentipimine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bentipimine?
The CAS number of Bentipimine is 17692-23-8.
What is the molecular formula of Bentipimine?
The molecular formula of Bentipimine is C27H31ClN2S.
What is the molecular weight of Bentipimine?
The molecular weight of Bentipimine is 450.19 g/mol.
Where can I buy Bentipimine?
You can request a quote for Bentipimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bentipimine?
Yes, KEHONG BIO provides custom synthesis services for Bentipimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.