1-methyl-4-chloroacetylpiperazine hydrochloride
TL;DR: 1-methyl-4-chloroacetylpiperazine hydrochloride (CAS 42952-21-6) is a chemical compound with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
Also Known As: 1-methyl-4-chloroacetylpiperazine hydrochloride, 3-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULFONYL]-N-[2-(DIMETHYLAMINO)ETHYL]-PROPANAMIDE, 3-[[4-[[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol]-1-yl]phenyl]sulfonyl]-N-[2-(dimethylamino)ethyl]propanamide, 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-(2-dimethylaminoethyl)propanamide, 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
| Molecular Formula | C22H27ClN4O3S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.14923 |
| Heavy Atoms | 31 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 42952-21-6 |
|---|---|
| SMILES | CN(C)CCNC(=O)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | KIZIJWPJYCEHQT-UHFFFAOYSA-N |
Product Overview
1-methyl-4-chloroacetylpiperazine hydrochloride (CAS 42952-21-6), with molecular formula C22H27ClN4O3S and molecular weight 462.15 g/mol. IUPAC: 3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[2-(dimethylamino)ethyl]propanamide.
Chemical Property Profile of 1-methyl-4-chloroacetylpiperazine hydrochloride
Property Insights of 1-methyl-4-chloroacetylpiperazine hydrochloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-chloroacetylpiperazine hydrochloride. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-chloroacetylpiperazine hydrochloride. Following Lipinski's Rule of Five, 1-methyl-4-chloroacetylpiperazine hydrochloride 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 1-methyl-4-chloroacetylpiperazine hydrochloride?
The CAS number of 1-methyl-4-chloroacetylpiperazine hydrochloride is 42952-21-6.
What is the molecular formula of 1-methyl-4-chloroacetylpiperazine hydrochloride?
The molecular formula of 1-methyl-4-chloroacetylpiperazine hydrochloride is C22H27ClN4O3S.
What is the molecular weight of 1-methyl-4-chloroacetylpiperazine hydrochloride?
The molecular weight of 1-methyl-4-chloroacetylpiperazine hydrochloride is 462.15 g/mol.
Where can I buy 1-methyl-4-chloroacetylpiperazine hydrochloride?
You can request a quote for 1-methyl-4-chloroacetylpiperazine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-chloroacetylpiperazine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-chloroacetylpiperazine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.