6R-0835
TL;DR: 6R-0835 (CAS 439111-24-7) is a chemical compound with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[1-(2-methoxycarbonylthiophen-3-yl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate
Also Known As: 6R-0835, methyl 5-{1-[2-(methoxycarbonyl)-3-thienyl]-1H-1,2,3-triazol-4-yl}-3-phenyl-4-isoxazolecarboxylate, methyl 5-[1-(2-methoxycarbonylthiophen-3-yl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate, methyl 5-{1-[2-(methoxycarbonyl)thiophen-3-yl]-1H-1,2,3-triazol-4-yl}-3-phenyl-1,2-oxazole-4-carboxylate, methyl5-{1-[2-(methoxycarbonyl)thiophen-3-yl]-1H-1,2,3-triazol-4-yl}-3-phenyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C19H14N4O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.224 |
| Topological Polar Surface Area | 109.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.06848 |
| Heavy Atoms | 29 |
| Complexity | 1178.4158 |
Chemical Identifiers
| CAS Number | 439111-24-7 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=CC=CC=C2)C3=CN(N=N3)C4=C(SC=C4)C(=O)OC |
Product Overview
6R-0835 (CAS 439111-24-7), with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol. IUPAC: methyl 5-[1-(2-methoxycarbonylthiophen-3-yl)triazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 6R-0835
Property Insights of 6R-0835
The XLogP value of 3.224 indicates that 6R-0835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6R-0835. Following Lipinski's Rule of Five, 6R-0835 has 0 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 6R-0835?
The CAS number of 6R-0835 is 439111-24-7.
What is the molecular formula of 6R-0835?
The molecular formula of 6R-0835 is C19H14N4O5S.
What is the molecular weight of 6R-0835?
The molecular weight of 6R-0835 is 410.07 g/mol.
Where can I buy 6R-0835?
You can request a quote for 6R-0835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-0835?
Yes, KEHONG BIO provides custom synthesis services for 6R-0835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.