12M-530S
TL;DR: 12M-530S (CAS 477859-53-3) is a chemical compound with molecular formula C20H16F3N3OS and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide
Also Known As: 12M-530S, N,N-dimethyl-2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarboxamide, N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide, N,N-dimethyl-2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carboxamide, N,N-Dimethyl-2-phenyl-4-((3-(trifluoromethyl)phenyl)thio)pyrimidine-5-carboxamide
| Molecular Formula | C20H16F3N3OS |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 5.0154 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.09662 |
| Heavy Atoms | 28 |
| Complexity | 991.48615 |
Chemical Identifiers
| CAS Number | 477859-53-3 |
|---|---|
| SMILES | CN(C)C(=O)C1=CN=C(N=C1SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
12M-530S (CAS 477859-53-3), with molecular formula C20H16F3N3OS and molecular weight 403.10 g/mol. IUPAC: N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide.
Chemical Property Profile of 12M-530S
Property Insights of 12M-530S
The XLogP value of 5.0154 indicates that 12M-530S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 12M-530S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12M-530S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12M-530S?
The CAS number of 12M-530S is 477859-53-3.
What is the molecular formula of 12M-530S?
The molecular formula of 12M-530S is C20H16F3N3OS.
What is the molecular weight of 12M-530S?
The molecular weight of 12M-530S is 403.10 g/mol.
Where can I buy 12M-530S?
You can request a quote for 12M-530S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-530S?
Yes, KEHONG BIO provides custom synthesis services for 12M-530S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.