RefChem:377623
TL;DR: RefChem:377623 (CAS 3763-42-6) is a chemical compound with molecular formula C19H29N5O8S2 and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine;methanesulfonic acid
Also Known As: Pyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate, 4-(Methylamino)-2-(4-piperonyl-1-piperazinyl)pyrimidine dimethanesulfonate hydrate, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine; methanesulfonic acid, Methanesulfonic acid--2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-methylpyrimidin-4-amine (2/1), RefChem:377623
| Molecular Formula | C19H29N5O8S2 |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | 0.5772 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.14575 |
| Heavy Atoms | 34 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 3763-42-6 |
|---|---|
| SMILES | CNC1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | RKHXXHNTPAKQBK-UHFFFAOYSA-N |
Product Overview
RefChem:377623 (CAS 3763-42-6), with molecular formula C19H29N5O8S2 and molecular weight 519.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine;methanesulfonic acid.
Chemical Property Profile of RefChem:377623
Property Insights of RefChem:377623
The XLogP value of 0.5772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377623. The TPSA of 188.0 Ų indicates high polarity, suggesting RefChem:377623 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377623 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:377623?
The CAS number of RefChem:377623 is 3763-42-6.
What is the molecular formula of RefChem:377623?
The molecular formula of RefChem:377623 is C19H29N5O8S2.
What is the molecular weight of RefChem:377623?
The molecular weight of RefChem:377623 is 519.15 g/mol.
Where can I buy RefChem:377623?
You can request a quote for RefChem:377623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377623?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.