Compound 65-359
TL;DR: Compound 65-359 (CAS 5496-35-5) is a chemical compound with molecular formula C21H27ClN2O4 and molecular weight 406.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
Also Known As: Compound 65/359, Compound 65-359, 3-Amino-5-bromobenzotrifluoride, KST-1B5465, KST-1B5466
| Molecular Formula | C21H27ClN2O4 |
|---|---|
| Molecular Weight | 406.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.16592 |
| Heavy Atoms | 28 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 5496-35-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O)OC |
| InChIKey | ZNVZCBHKFQZYQF-UHFFFAOYSA-N |
Product Overview
Compound 65-359 (CAS 5496-35-5), with molecular formula C21H27ClN2O4 and molecular weight 406.17 g/mol. IUPAC: 1-(4-chlorophenoxy)-3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]propan-2-ol.
Chemical Property Profile of Compound 65-359
Property Insights of Compound 65-359
The XLogP value of 3.5 indicates that Compound 65-359 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Compound 65-359 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound 65-359 has 1 hydrogen bond donor(s) and 6 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 Compound 65-359?
The CAS number of Compound 65-359 is 5496-35-5.
What is the molecular formula of Compound 65-359?
The molecular formula of Compound 65-359 is C21H27ClN2O4.
What is the molecular weight of Compound 65-359?
The molecular weight of Compound 65-359 is 406.17 g/mol.
Where can I buy Compound 65-359?
You can request a quote for Compound 65-359 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 65-359?
Yes, KEHONG BIO provides custom synthesis services for Compound 65-359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.