5R-0809
TL;DR: 5R-0809 (CAS 439110-54-0) is a chemical compound with molecular formula C21H14Cl2N4O4 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[1-(4-acetylphenyl)triazol-4-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
Also Known As: 5R-0809, Methyl 5-[1-(4-acetylphenyl)triazol-4-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate, methyl 5-[1-(4-acetylphenyl)-1H-1,2,3-triazol-4-yl]-3-(2,6-dichlorophenyl)-4-isoxazolecarboxylate, Methyl 5-(1-(4-acetylphenyl)-1H-1,2,3-triazol-4-yl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate, methyl 5-[1-(4-acetylphenyl)-1H-1,2,3-triazol-4-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
| Molecular Formula | C21H14Cl2N4O4 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 4.8853 |
| Topological Polar Surface Area | 100.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0392 |
| Heavy Atoms | 31 |
| Complexity | 1274.9645 |
Chemical Identifiers
| CAS Number | 439110-54-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C=C(N=N2)C3=C(C(=NO3)C4=C(C=CC=C4Cl)Cl)C(=O)OC |
Product Overview
5R-0809 (CAS 439110-54-0), with molecular formula C21H14Cl2N4O4 and molecular weight 456.04 g/mol. IUPAC: methyl 5-[1-(4-acetylphenyl)triazol-4-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 5R-0809
Property Insights of 5R-0809
The XLogP value of 4.8853 indicates that 5R-0809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5R-0809. Following Lipinski's Rule of Five, 5R-0809 has 0 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 5R-0809?
The CAS number of 5R-0809 is 439110-54-0.
What is the molecular formula of 5R-0809?
The molecular formula of 5R-0809 is C21H14Cl2N4O4.
What is the molecular weight of 5R-0809?
The molecular weight of 5R-0809 is 456.04 g/mol.
Where can I buy 5R-0809?
You can request a quote for 5R-0809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-0809?
Yes, KEHONG BIO provides custom synthesis services for 5R-0809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.