![N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide structure](/static/products/1472/147298-59-7.webp)
N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide
TL;DR: N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide (CAS 147298-59-7) is a chemical compound with molecular formula C13H10Cl3N3O2S and molecular weight 376.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide
Also Known As: BAS 00087440, N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide, AE-848/36959618, N-[2,2,2-trichloro-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide, phenyl-N-[2,2,2-trichloro-1-(6-oxo-2-sulfanylhydropyrimidinyl)ethyl]carboxamid e
| Molecular Formula | C13H10Cl3N3O2S |
|---|---|
| Molecular Weight | 376.96 g/mol |
| LogP | 3.20469 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.95593 |
| Heavy Atoms | 22 |
| Complexity | 755.1027 |
Chemical Identifiers
| CAS Number | 147298-59-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)N2C(=O)C=CNC2=S |
Product Overview
N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide (CAS 147298-59-7), with molecular formula C13H10Cl3N3O2S and molecular weight 376.96 g/mol. IUPAC: N-[2,2,2-trichloro-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)ethyl]benzamide.
Chemical Property Profile of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide
Property Insights of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide
The XLogP value of 3.20469 indicates that N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide. Following Lipinski's Rule of Five, N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide has 2 hydrogen bond donor(s) and 3 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 N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide?
The CAS number of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide is 147298-59-7.
What is the molecular formula of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide?
The molecular formula of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide is C13H10Cl3N3O2S.
What is the molecular weight of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide?
The molecular weight of N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide is 376.96 g/mol.
Where can I buy N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide?
You can request a quote for N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2,2,2-trichloro-1-(6-oxo-2-sulfanyl-1(6H)-pyrimidinyl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.