RefChem:74512
TL;DR: RefChem:74512 (CAS 136818-99-0) is a chemical compound with molecular formula C21H31ClN4O and molecular weight 390.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]pyridin-3-amine;hydrochloride
Also Known As: U 80493E, U-80493E, 1- -4-(3- piperazinehydrochloride, 1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride, [4-(3-Chloro-phenoxy)-cyclohexyl]-methyl-amine(1HClsalt)
| Molecular Formula | C21H31ClN4O |
|---|---|
| Molecular Weight | 390.22 g/mol |
| LogP | 3.88284 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.21863 |
| Heavy Atoms | 27 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 136818-99-0 |
|---|---|
| SMILES | CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)OC)C.Cl |
| InChIKey | MQXCHEWDSNSGBN-UHFFFAOYSA-N |
Product Overview
RefChem:74512 (CAS 136818-99-0), with molecular formula C21H31ClN4O and molecular weight 390.22 g/mol. IUPAC: N-ethyl-2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]pyridin-3-amine;hydrochloride.
Chemical Property Profile of RefChem:74512
Property Insights of RefChem:74512
The XLogP value of 3.88284 indicates that RefChem:74512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:74512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:74512 has 2 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:74512?
The CAS number of RefChem:74512 is 136818-99-0.
What is the molecular formula of RefChem:74512?
The molecular formula of RefChem:74512 is C21H31ClN4O.
What is the molecular weight of RefChem:74512?
The molecular weight of RefChem:74512 is 390.22 g/mol.
Where can I buy RefChem:74512?
You can request a quote for RefChem:74512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:74512?
Yes, KEHONG BIO provides custom synthesis services for RefChem:74512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.