RefChem:1089133
TL;DR: RefChem:1089133 (CAS 3398-25-2) is a chemical compound with molecular formula C21H24N2O8S and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;methanesulfonic acid
Also Known As: Piperazine, 4-piperonyl-1-piperonyloyl-, methanesulfonate, 4-Piperonyl-1-piperonyloylpiperazine methanesulfonate, 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid, Methanesulfonic acid--(2H-1,3-benzodioxol-5-yl){4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methanone (1/1), Methanone, 1,3-benzodioxol-5-yl(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-, methanesulfonate (1:1)
| Molecular Formula | C21H24N2O8S |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 1.606 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.12534 |
| Heavy Atoms | 32 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 3398-25-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | BOBAAQYCLOWDEZ-UHFFFAOYSA-N |
Product Overview
RefChem:1089133 (CAS 3398-25-2), with molecular formula C21H24N2O8S and molecular weight 464.13 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;methanesulfonic acid.
Chemical Property Profile of RefChem:1089133
Property Insights of RefChem:1089133
The XLogP value of 1.606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089133. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1089133. Following Lipinski's Rule of Five, RefChem:1089133 has 1 hydrogen bond donor(s) and 9 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 RefChem:1089133?
The CAS number of RefChem:1089133 is 3398-25-2.
What is the molecular formula of RefChem:1089133?
The molecular formula of RefChem:1089133 is C21H24N2O8S.
What is the molecular weight of RefChem:1089133?
The molecular weight of RefChem:1089133 is 464.13 g/mol.
Where can I buy RefChem:1089133?
You can request a quote for RefChem:1089133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089133?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.