RefChem:331456
TL;DR: RefChem:331456 (CAS 17755-85-0) is a chemical compound with molecular formula C23H31Cl3N2O4 and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride
Also Known As: Butyrophenone, 4-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride, 1-(o-Chlorophenyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)piperazine dihydrochloride, 4-(4-(o-Chlorophenyl)piperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochloride, Piperazine, 1-(o-chlorophenyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochloride, 4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one dihydrochloride
| Molecular Formula | C23H31Cl3N2O4 |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 4.99 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.13495 |
| Heavy Atoms | 32 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 17755-85-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3Cl.Cl.Cl |
| InChIKey | SJSCYQUDNMCLHF-UHFFFAOYSA-N |
Product Overview
RefChem:331456 (CAS 17755-85-0), with molecular formula C23H31Cl3N2O4 and molecular weight 504.13 g/mol. IUPAC: 4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:331456
Property Insights of RefChem:331456
The XLogP value of 4.99 indicates that RefChem:331456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:331456 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331456 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331456?
The CAS number of RefChem:331456 is 17755-85-0.
What is the molecular formula of RefChem:331456?
The molecular formula of RefChem:331456 is C23H31Cl3N2O4.
What is the molecular weight of RefChem:331456?
The molecular weight of RefChem:331456 is 504.13 g/mol.
Where can I buy RefChem:331456?
You can request a quote for RefChem:331456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331456?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.