7N-503S
TL;DR: 7N-503S (CAS 339019-44-2) is a chemical compound with molecular formula C16H13F6N3O2S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: 7N-503S, ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-(methylsulfanyl)-5-pyrimidinecarboxylate, ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate, Ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(methylthio)-5-pyrimidinecarboxylate
| Molecular Formula | C16H13F6N3O2S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 5.1564 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.06326 |
| Heavy Atoms | 28 |
| Complexity | 838.1837 |
Chemical Identifiers
| CAS Number | 339019-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC |
Product Overview
7N-503S (CAS 339019-44-2), with molecular formula C16H13F6N3O2S and molecular weight 425.06 g/mol. IUPAC: ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate.
Chemical Property Profile of 7N-503S
Property Insights of 7N-503S
The XLogP value of 5.1564 indicates that 7N-503S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 7N-503S. Following Lipinski's Rule of Five, 7N-503S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7N-503S?
The CAS number of 7N-503S is 339019-44-2.
What is the molecular formula of 7N-503S?
The molecular formula of 7N-503S is C16H13F6N3O2S.
What is the molecular weight of 7N-503S?
The molecular weight of 7N-503S is 425.06 g/mol.
Where can I buy 7N-503S?
You can request a quote for 7N-503S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-503S?
Yes, KEHONG BIO provides custom synthesis services for 7N-503S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.