1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine (CAS 531541-90-9) is a chemical compound with molecular formula C19H21BrN2O5S and molecular weight 468.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine
Also Known As: BAS 04870638, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine, AO-022/41304889, 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-2-bromophenyl methyl ether, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)sulfonyl]piperazine
| Molecular Formula | C19H21BrN2O5S |
|---|---|
| Molecular Weight | 468.04 g/mol |
| LogP | 2.6929 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.03546 |
| Heavy Atoms | 28 |
| Complexity | 974.2844 |
Chemical Identifiers
| CAS Number | 531541-90-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine (CAS 531541-90-9), with molecular formula C19H21BrN2O5S and molecular weight 468.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine
The XLogP value of 2.6929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine has 0 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-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine is 531541-90-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine is C19H21BrN2O5S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine is 468.04 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.