![1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone structure](/static/products/4441/444151-86-4.webp)
1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone
TL;DR: 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone (CAS 444151-86-4) is a chemical compound with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-benzylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]-3-methylbutan-1-one
Also Known As: Bionet1_000016, MixCom2_000051, 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone, 1-[5-(4-benzylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]-3-methylbutan-1-one, 1-[5-(4-benzylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]-3-methyl-butan-1-one
| Molecular Formula | C21H27N3O2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 3.2015 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.21033 |
| Heavy Atoms | 26 |
| Complexity | 743.6265 |
Chemical Identifiers
| CAS Number | 444151-86-4 |
|---|---|
| SMILES | CC(C)CC(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone (CAS 444151-86-4), with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol. IUPAC: 1-[5-(4-benzylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]-3-methylbutan-1-one.
Chemical Property Profile of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone
Property Insights of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone
The XLogP value of 3.2015 indicates that 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone has 1 hydrogen bond donor(s) and 3 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-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone?
The CAS number of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone is 444151-86-4.
What is the molecular formula of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone?
The molecular formula of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone is C21H27N3O2.
What is the molecular weight of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone?
The molecular weight of 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone is 353.21 g/mol.
Where can I buy 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone?
You can request a quote for 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(4-benzylpiperazino)carbonyl]-1H-pyrrol-3-yl}-3-methyl-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.