N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide
TL;DR: N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide (CAS 130925-55-2) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-oxo-2-sulfanylidenepyrimidin-1-yl)methyl]benzamide
Also Known As: ChemDiv3_000556, BAS 00537973, N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide, N-[(4-oxo-2-sulfanylidenepyrimidin-1-yl)methyl]benzamide, BRD-K59079140-001-01-8
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 130925-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCN2C=CC(=O)NC2=S |
| InChIKey | QEYODQNJDBDVDN-UHFFFAOYSA-N |
Product Overview
N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide (CAS 130925-55-2), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: N-[(4-oxo-2-sulfanylidenepyrimidin-1-yl)methyl]benzamide.
Chemical Property Profile of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide
Property Insights of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide. Following Lipinski's Rule of Five, N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-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-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide?
The CAS number of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide is 130925-55-2.
What is the molecular formula of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide?
The molecular formula of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide is C12H11N3O2S.
What is the molecular weight of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide?
The molecular weight of N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide is 261.06 g/mol.
Where can I buy N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide?
You can request a quote for N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.