L-822179 dihydrate
TL;DR: L-822179 dihydrate (CAS 268541-28-2) is a chemical compound with molecular formula C17H18N8O4 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[6-[(1-methyltriazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole;dihydrate
Also Known As: L-822179 dihydrate, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(5-methyl-3-isoxazolyl)-6-((1-methyl-1H-1,2,3-triazol-4-yl)methoxy)-, hydrate (1:2)
| Molecular Formula | C17H18N8O4 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 0.29902 |
| Topological Polar Surface Area | 172.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1451 |
| Heavy Atoms | 29 |
| Complexity | 1275.1598 |
Chemical Identifiers
| CAS Number | 268541-28-2 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=CN(N=N5)C.O.O |
Product Overview
L-822179 dihydrate (CAS 268541-28-2), with molecular formula C17H18N8O4 and molecular weight 398.15 g/mol. IUPAC: 5-methyl-3-[6-[(1-methyltriazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole;dihydrate.
Chemical Property Profile of L-822179 dihydrate
Property Insights of L-822179 dihydrate
The XLogP value of 0.29902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-822179 dihydrate. The TPSA of 172.05 Ų indicates high polarity, suggesting L-822179 dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-822179 dihydrate has 0 hydrogen bond donor(s) and 8 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 L-822179 dihydrate?
The CAS number of L-822179 dihydrate is 268541-28-2.
What is the molecular formula of L-822179 dihydrate?
The molecular formula of L-822179 dihydrate is C17H18N8O4.
What is the molecular weight of L-822179 dihydrate?
The molecular weight of L-822179 dihydrate is 398.15 g/mol.
Where can I buy L-822179 dihydrate?
You can request a quote for L-822179 dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-822179 dihydrate?
Yes, KEHONG BIO provides custom synthesis services for L-822179 dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.