C13H9F3N4O5S
TL;DR: C13H9F3N4O5S (CAS 1025590-81-1) is a chemical compound with molecular formula C13H9F3N4O5S and molecular weight 390.02457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonylethenyl]pyrimidin-2-amine
Also Known As: 1-NITRO-2-(PYRIMIDIN-2-YLAMINO)-1-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)ETHENE, N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonyl-vinyl]pyrimidin-2-amine, N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonylethenyl]pyrimidin-2-amine, N-[2-nitro-2-[4-(trifluoromethoxy)phenyl]sulfonyl-ethenyl]pyrimidin-2-amine, C13H9F3N4O5S
Technical Specifications
| Molecular Formula | C13H9F3N4O5S |
| Molecular Weight | 390.02457 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.02457 Da |
| Heavy Atoms | 26 |
| Complexity | 615.0 |
| SMILES | C1=CN=C(N=C1)NC=C([N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | NFCLWLOJZRJOFG-UHFFFAOYSA-N |
Chemical Property Profile of C13H9F3N4O5S
Property Insights of C13H9F3N4O5S
The XLogP value of 3.2 indicates that C13H9F3N4O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H9F3N4O5S. Following Lipinski's Rule of Five, C13H9F3N4O5S has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C13H9F3N4O5S?
The CAS number of C13H9F3N4O5S is 1025590-81-1.
What is the molecular formula of C13H9F3N4O5S?
The molecular formula of C13H9F3N4O5S is C13H9F3N4O5S.
What is the molecular weight of C13H9F3N4O5S?
The molecular weight of C13H9F3N4O5S is 390.02457 g/mol.
Where can I buy C13H9F3N4O5S?
You can request a quote for C13H9F3N4O5S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H9F3N4O5S?
Yes, CoreyChem provides custom synthesis services for C13H9F3N4O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.