2R-0808
TL;DR: 2R-0808 (CAS 477890-11-2) is a chemical compound with molecular formula C19H12ClN5O5 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)triazol-4-yl]-1,2-oxazole-4-carboxylate
Also Known As: 2R-0808, methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]-4-isoxazolecarboxylate, methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)triazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)-1,2,3-triazol-4-yl]-1,2-oxazole-4-carboxylate
| Molecular Formula | C19H12ClN5O5 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 3.9375 |
| Topological Polar Surface Area | 126.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.0527 |
| Heavy Atoms | 30 |
| Complexity | 1248.4509 |
Chemical Identifiers
| CAS Number | 477890-11-2 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C3=CN(N=N3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2R-0808 (CAS 477890-11-2), with molecular formula C19H12ClN5O5 and molecular weight 425.05 g/mol. IUPAC: methyl 3-(2-chlorophenyl)-5-[1-(4-nitrophenyl)triazol-4-yl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 2R-0808
Property Insights of 2R-0808
The XLogP value of 3.9375 indicates that 2R-0808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0808. Following Lipinski's Rule of Five, 2R-0808 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 2R-0808?
The CAS number of 2R-0808 is 477890-11-2.
What is the molecular formula of 2R-0808?
The molecular formula of 2R-0808 is C19H12ClN5O5.
What is the molecular weight of 2R-0808?
The molecular weight of 2R-0808 is 425.05 g/mol.
Where can I buy 2R-0808?
You can request a quote for 2R-0808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0808?
Yes, KEHONG BIO provides custom synthesis services for 2R-0808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.