![3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid structure](/static/products/3075/307513-29-7.webp)
3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid
TL;DR: 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid (CAS 307513-29-7) is a chemical compound with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid
Also Known As: AB00842151-06, 3-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid, 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)benzoic acid, F0745-0748, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid
| Molecular Formula | C19H20N2O6S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.10422 |
| Heavy Atoms | 28 |
| Complexity | 999.23346 |
Chemical Identifiers
| CAS Number | 307513-29-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O |
Product Overview
3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid (CAS 307513-29-7), with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid.
Chemical Property Profile of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid
Property Insights of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid 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-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid?
The CAS number of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid is 307513-29-7.
What is the molecular formula of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid?
The molecular formula of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid is C19H20N2O6S.
What is the molecular weight of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid?
The molecular weight of 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid is 404.10 g/mol.
Where can I buy 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid?
You can request a quote for 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.