RefChem:233982
TL;DR: RefChem:233982 (CAS 107314-69-2) is a chemical compound with molecular formula C27H35Cl3N4O and molecular weight 536.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-benzhydryl-5-(methylamino)phenyl]piperazin-1-yl]propanamide;trihydrochloride
Also Known As: C27H32N4O.3ClH.1/2H2O, C27-H32-N4-O.3Cl-H.1/2H2-O, 1-Piperazinepropanamide, 4-(diphenylmethyl)-N-(3-(methylamino)phenyl)-, hydrochloride, hydrate (2:6:1), 3-(4-Benzhydryl-1-piperazinyl)-N-(3-methylaminophenyl)propionamide trihydrochloride 1/2H2O, 3-(4-benzhydryl-1-piperazinyl)-N,3-aminophenylpropionamide
| Molecular Formula | C27H35Cl3N4O |
|---|---|
| Molecular Weight | 536.19 g/mol |
| LogP | 5.1713 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.1876 |
| Heavy Atoms | 35 |
| Complexity | 989.6111 |
Chemical Identifiers
| CAS Number | 107314-69-2 |
|---|---|
| SMILES | CNC1=CC(=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCN(CC4)CCC(=O)N.Cl.Cl.Cl |
Product Overview
RefChem:233982 (CAS 107314-69-2), with molecular formula C27H35Cl3N4O and molecular weight 536.19 g/mol. IUPAC: 3-[4-[3-benzhydryl-5-(methylamino)phenyl]piperazin-1-yl]propanamide;trihydrochloride.
Chemical Property Profile of RefChem:233982
Property Insights of RefChem:233982
The XLogP value of 5.1713 indicates that RefChem:233982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233982. Following Lipinski's Rule of Five, RefChem:233982 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:233982?
The CAS number of RefChem:233982 is 107314-69-2.
What is the molecular formula of RefChem:233982?
The molecular formula of RefChem:233982 is C27H35Cl3N4O.
What is the molecular weight of RefChem:233982?
The molecular weight of RefChem:233982 is 536.19 g/mol.
Where can I buy RefChem:233982?
You can request a quote for RefChem:233982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233982?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.