RefChem:228837
TL;DR: RefChem:228837 (CAS 62270-82-0) is a chemical compound with molecular formula C23H39Cl4N3O and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]butan-1-one;trihydrochloride
Also Known As: 1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-, trihydrochloride, 1-(4-(3-Chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-1-butanone 3HCl, 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]butan-1-one trihydrochloride, 1-BUTANONE, 1-(4-(3-CHLOROPHENYL)-1-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-4-PIPERID, 1-{4-(3-Chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl}butan-1-one--hydrogen chloride (1/3)
| Molecular Formula | C23H39Cl4N3O |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 4.95 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.18176 |
| Heavy Atoms | 31 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 62270-82-0 |
|---|---|
| SMILES | CCCC(=O)C1(CCN(CC1)CCCN2CCN(CC2)C)C3=CC(=CC=C3)Cl.Cl.Cl.Cl |
| InChIKey | MBEZLFZGNHSRRB-UHFFFAOYSA-N |
Product Overview
RefChem:228837 (CAS 62270-82-0), with molecular formula C23H39Cl4N3O and molecular weight 513.18 g/mol. IUPAC: 1-[4-(3-chlorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-yl]butan-1-one;trihydrochloride.
Chemical Property Profile of RefChem:228837
Property Insights of RefChem:228837
The XLogP value of 4.95 indicates that RefChem:228837 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:228837 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228837 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228837?
The CAS number of RefChem:228837 is 62270-82-0.
What is the molecular formula of RefChem:228837?
The molecular formula of RefChem:228837 is C23H39Cl4N3O.
What is the molecular weight of RefChem:228837?
The molecular weight of RefChem:228837 is 513.18 g/mol.
Where can I buy RefChem:228837?
You can request a quote for RefChem:228837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228837?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.