6L-031
TL;DR: 6L-031 (CAS 338966-75-9) is a chemical compound with molecular formula C16H9Cl2F3N4O3 and molecular weight 432.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
Also Known As: 6L-031, methyl 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate, methyl 5-[2-amino-4-(trifluoromethyl)-5-pyrimidinyl]-3-(2,6-dichlorophenyl)-4-isoxazolecarboxylate, methyl5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
| Molecular Formula | C16H9Cl2F3N4O3 |
|---|---|
| Molecular Weight | 432.00 g/mol |
| LogP | 4.493 |
| Topological Polar Surface Area | 104.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.00037 |
| Heavy Atoms | 28 |
| Complexity | 1049.5234 |
Chemical Identifiers
| CAS Number | 338966-75-9 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C3=CN=C(N=C3C(F)(F)F)N |
Product Overview
6L-031 (CAS 338966-75-9), with molecular formula C16H9Cl2F3N4O3 and molecular weight 432.00 g/mol. IUPAC: methyl 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 6L-031
Property Insights of 6L-031
The XLogP value of 4.493 indicates that 6L-031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6L-031. Following Lipinski's Rule of Five, 6L-031 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 6L-031?
The CAS number of 6L-031 is 338966-75-9.
What is the molecular formula of 6L-031?
The molecular formula of 6L-031 is C16H9Cl2F3N4O3.
What is the molecular weight of 6L-031?
The molecular weight of 6L-031 is 432.00 g/mol.
Where can I buy 6L-031?
You can request a quote for 6L-031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6L-031?
Yes, KEHONG BIO provides custom synthesis services for 6L-031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.