RefChem:331415
TL;DR: RefChem:331415 (CAS 24217-08-1) is a chemical compound with molecular formula C23H31Cl2FN2O2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: Bay a 6781, Bay-a 6781, KST-1B2085, 4'-Fluoro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)butyrophenone dihydrochloride, 1-(4-fluorophenyl)-4-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]butan-1-one dihydrochloride
| Molecular Formula | C23H31Cl2FN2O2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 4.6375 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.17465 |
| Heavy Atoms | 30 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 24217-08-1 |
|---|---|
| SMILES | COC(CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.Cl |
| InChIKey | PWIFPSBDKOJFHU-UHFFFAOYSA-N |
Product Overview
RefChem:331415 (CAS 24217-08-1), with molecular formula C23H31Cl2FN2O2 and molecular weight 456.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:331415
Property Insights of RefChem:331415
The XLogP value of 4.6375 indicates that RefChem:331415 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:331415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331415 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:331415?
The CAS number of RefChem:331415 is 24217-08-1.
What is the molecular formula of RefChem:331415?
The molecular formula of RefChem:331415 is C23H31Cl2FN2O2.
What is the molecular weight of RefChem:331415?
The molecular weight of RefChem:331415 is 456.17 g/mol.
Where can I buy RefChem:331415?
You can request a quote for RefChem:331415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.