12M-528S
TL;DR: 12M-528S (CAS 477859-52-2) is a chemical compound with molecular formula C22H18F3N3O2S and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-[2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-5-yl]methanone
Also Known As: 12M-528S, morpholino(2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinyl)methanone, 4-(2-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonyl)morpholine, morpholin-4-yl-[2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-5-yl]methanone, Morpholin-4-yl-[2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidin-5-yl]methanone
| Molecular Formula | C22H18F3N3O2S |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 4.786 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.10718 |
| Heavy Atoms | 31 |
| Complexity | 1071.0963 |
Chemical Identifiers
| CAS Number | 477859-52-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
12M-528S (CAS 477859-52-2), with molecular formula C22H18F3N3O2S and molecular weight 445.11 g/mol. IUPAC: morpholin-4-yl-[2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-5-yl]methanone.
Chemical Property Profile of 12M-528S
Property Insights of 12M-528S
The XLogP value of 4.786 indicates that 12M-528S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, 12M-528S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12M-528S has 0 hydrogen bond donor(s) and 5 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 12M-528S?
The CAS number of 12M-528S is 477859-52-2.
What is the molecular formula of 12M-528S?
The molecular formula of 12M-528S is C22H18F3N3O2S.
What is the molecular weight of 12M-528S?
The molecular weight of 12M-528S is 445.11 g/mol.
Where can I buy 12M-528S?
You can request a quote for 12M-528S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-528S?
Yes, KEHONG BIO provides custom synthesis services for 12M-528S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.