![3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide structure](/static/products/672/672944-50-2.png)
3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide
TL;DR: 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide (CAS 672944-50-2) is a chemical compound with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
Also Known As: BAS 07006137, 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide, N-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}-3-(propan-2-yloxy)benzamide, 3-isopropoxy-N-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)benzamide, N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 672944-50-2 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C |
| InChIKey | YWEUNJTVENKIMQ-UHFFFAOYSA-N |
Product Overview
3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide (CAS 672944-50-2), with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol. IUPAC: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide.
Chemical Property Profile of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide
Property Insights of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide. Following Lipinski's Rule of Five, 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide 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 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide?
The CAS number of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide is 672944-50-2.
What is the molecular formula of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide?
The molecular formula of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide is C21H27N3O4S.
What is the molecular weight of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide?
The molecular weight of 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide is 417.17 g/mol.
Where can I buy 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide?
You can request a quote for 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxy-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.