1X-0219
TL;DR: 1X-0219 (CAS 861206-88-4) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.18 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]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
Also Known As: 1X-0219, 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]ethyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one, 2-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one, 2-(2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}ethyl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
| Molecular Formula | C21H24N4O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 1.7177 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.17975 |
| Heavy Atoms | 29 |
| Complexity | 897.9999 |
Chemical Identifiers
| CAS Number | 861206-88-4 |
|---|---|
| SMILES | C1CN(CCN1CCC2C(=O)NC3=C(O2)C=CC=N3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
1X-0219 (CAS 861206-88-4), with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol. IUPAC: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
Chemical Property Profile of 1X-0219
Property Insights of 1X-0219
The XLogP value of 1.7177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1X-0219. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1X-0219. Following Lipinski's Rule of Five, 1X-0219 has 1 hydrogen bond donor(s) and 7 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 1X-0219?
The CAS number of 1X-0219 is 861206-88-4.
What is the molecular formula of 1X-0219?
The molecular formula of 1X-0219 is C21H24N4O4.
What is the molecular weight of 1X-0219?
The molecular weight of 1X-0219 is 396.18 g/mol.
Where can I buy 1X-0219?
You can request a quote for 1X-0219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0219?
Yes, KEHONG BIO provides custom synthesis services for 1X-0219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.