RefChem:1056377
TL;DR: RefChem:1056377 (CAS 55212-65-2) is a chemical compound with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;(E)-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]methanimine
Also Known As: 1-(Benzylideneamino)-4-(2,4,6-trimethylbenzyl)piperazine methanesulfonate, 1-Piperazinamine, N-(phenylmethylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate, RefChem:1056377
| Molecular Formula | C22H31N3O3S |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 3.26756 |
| Topological Polar Surface Area | 73.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.20862 |
| Heavy Atoms | 29 |
| Complexity | 888.5687 |
Chemical Identifiers
| CAS Number | 55212-65-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CN2CCN(CC2)/N=C/C3=CC=CC=C3)C.CS(=O)(=O)O |
Product Overview
RefChem:1056377 (CAS 55212-65-2), with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol. IUPAC: methanesulfonic acid;(E)-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]methanimine.
Chemical Property Profile of RefChem:1056377
Property Insights of RefChem:1056377
The XLogP value of 3.26756 indicates that RefChem:1056377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056377. Following Lipinski's Rule of Five, RefChem:1056377 has 1 hydrogen bond donor(s) and 5 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 RefChem:1056377?
The CAS number of RefChem:1056377 is 55212-65-2.
What is the molecular formula of RefChem:1056377?
The molecular formula of RefChem:1056377 is C22H31N3O3S.
What is the molecular weight of RefChem:1056377?
The molecular weight of RefChem:1056377 is 417.21 g/mol.
Where can I buy RefChem:1056377?
You can request a quote for RefChem:1056377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056377?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.