RefChem:340666
TL;DR: RefChem:340666 (CAS 3601-74-9) is a chemical compound with molecular formula C20H29Cl2N5O4 and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;dihydrochloride
Also Known As: Ethanol, 2,2'-((2-(4-piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-, dihydrochloride, 2,2'-((2-(4-Piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-ethanol dihydrochloride, 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidi, 2,2'-[(2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidin-4-yl)azanediyl]di(ethan-1-ol)--hydrogen chloride (1/2), 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol dihydrochloride
| Molecular Formula | C20H29Cl2N5O4 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.1621 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.15967 |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 3601-74-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N(CCO)CCO.Cl.Cl |
| InChIKey | HTONMLDHAWVBBR-UHFFFAOYSA-N |
Product Overview
RefChem:340666 (CAS 3601-74-9), with molecular formula C20H29Cl2N5O4 and molecular weight 473.16 g/mol. IUPAC: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:340666
Property Insights of RefChem:340666
The XLogP value of 1.1621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340666. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340666. Following Lipinski's Rule of Five, RefChem:340666 has 4 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:340666?
The CAS number of RefChem:340666 is 3601-74-9.
What is the molecular formula of RefChem:340666?
The molecular formula of RefChem:340666 is C20H29Cl2N5O4.
What is the molecular weight of RefChem:340666?
The molecular weight of RefChem:340666 is 473.16 g/mol.
Where can I buy RefChem:340666?
You can request a quote for RefChem:340666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340666?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.