SP 100030
TL;DR: SP 100030 (CAS 154563-54-9) is a chemical compound with molecular formula C14H5ClF9N3O and molecular weight 436.99774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
Also Known As: SP 100030, Ap-1/nf-kappab dual inhibitor, N-[3,5-Bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxamide, N-(3,5-Bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
Technical Specifications
| Molecular Formula | C14H5ClF9N3O |
| Molecular Weight | 436.99774 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.99774 Da |
| Heavy Atoms | 28 |
| Complexity | 544.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)C(F)(F)F |
| InChIKey | GHMKQBWHPQMXSH-UHFFFAOYSA-N |
Chemical Property Profile of SP 100030
Property Insights of SP 100030
The XLogP value of 4.7 indicates that SP 100030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.9 Ų, SP 100030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SP 100030 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of SP 100030?
The CAS number of SP 100030 is 154563-54-9.
What is the molecular formula of SP 100030?
The molecular formula of SP 100030 is C14H5ClF9N3O.
What is the molecular weight of SP 100030?
The molecular weight of SP 100030 is 436.99774 g/mol.
Where can I buy SP 100030?
You can request a quote for SP 100030 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SP 100030?
Yes, CoreyChem provides custom synthesis services for SP 100030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.