RefChem:1056835
TL;DR: RefChem:1056835 (CAS 86871-43-4) is a chemical compound with molecular formula C18H22ClN3O5 and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
Also Known As: 3-p-Chlorophenyl-5-dimethylaminopropoxy-pyrazole maleate, p-Chlorophenyl-3 dimethylaminopropoxy-5 pyrazole maleate [French], p-Chlorophenyl-3 dimethylaminopropoxy-5 pyrazole maleate, 1-Propanamine, 3-((5-(4-chlorophenyl)-1H-pyrazol-3-yl)oxy)-N,N-dimethy-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine
| Molecular Formula | C18H22ClN3O5 |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 2.7724 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.1248 |
| Heavy Atoms | 27 |
| Complexity | 740.6125 |
Chemical Identifiers
| CAS Number | 86871-43-4 |
|---|---|
| SMILES | CN(C)CCCOC1=NNC(=C1)C2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056835 (CAS 86871-43-4), with molecular formula C18H22ClN3O5 and molecular weight 395.12 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1056835
Property Insights of RefChem:1056835
The XLogP value of 2.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056835. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056835. Following Lipinski's Rule of Five, RefChem:1056835 has 3 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:1056835?
The CAS number of RefChem:1056835 is 86871-43-4.
What is the molecular formula of RefChem:1056835?
The molecular formula of RefChem:1056835 is C18H22ClN3O5.
What is the molecular weight of RefChem:1056835?
The molecular weight of RefChem:1056835 is 395.12 g/mol.
Where can I buy RefChem:1056835?
You can request a quote for RefChem:1056835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.