NPE556
TL;DR: NPE556 (CAS 306978-30-3) is a chemical compound with molecular formula C18H13ClF3N5O4S and molecular weight 487.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-(4-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione
Also Known As: NPE556, 12H-948, 3-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[(4-nitrophenyl)sulfanyl]-2,4(1H,3H)-pyrimidinedione, 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-(4-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione, 3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-6-[(4-nitrophenyl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C18H13ClF3N5O4S |
|---|---|
| Molecular Weight | 487.03 g/mol |
| LogP | 3.7753 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.0329 |
| Heavy Atoms | 32 |
| Complexity | 1229.9456 |
Chemical Identifiers
| CAS Number | 306978-30-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC2=CC(=O)N(C(=O)N2)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
NPE556 (CAS 306978-30-3), with molecular formula C18H13ClF3N5O4S and molecular weight 487.03 g/mol. IUPAC: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-(4-nitrophenyl)sulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of NPE556
Property Insights of NPE556
The XLogP value of 3.7753 indicates that NPE556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.92 Ų falls within the moderate polarity range, balancing permeability and solubility for NPE556. Following Lipinski's Rule of Five, NPE556 has 2 hydrogen bond donor(s) and 7 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 NPE556?
The CAS number of NPE556 is 306978-30-3.
What is the molecular formula of NPE556?
The molecular formula of NPE556 is C18H13ClF3N5O4S.
What is the molecular weight of NPE556?
The molecular weight of NPE556 is 487.03 g/mol.
Where can I buy NPE556?
You can request a quote for NPE556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPE556?
Yes, KEHONG BIO provides custom synthesis services for NPE556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.