2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide
TL;DR: 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide (CAS 663186-36-5) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-N-pyrimidin-2-ylbenzamide
Also Known As: Benzamide,2- -N-2-pyrimidinyl-, 2-(Ethylthio)-N-(pyrimidin-2-yl)benzamide, 2-ethylsulfanyl-N-pyrimidin-2-ylbenzamide, 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide, benzamide,2-(ethylthio)-N-2-pyrimidinyl-
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.8409 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 530.7694 |
Chemical Identifiers
| CAS Number | 663186-36-5 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)NC2=NC=CC=N2 |
Product Overview
2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide (CAS 663186-36-5), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: 2-ethylsulfanyl-N-pyrimidin-2-ylbenzamide.
Chemical Property Profile of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide
Property Insights of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide
The XLogP value of 2.8409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide. With a topological polar surface area (TPSA) of 54.88 Ų, 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide?
The CAS number of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide is 663186-36-5.
What is the molecular formula of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide?
The molecular formula of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide is C13H13N3OS.
What is the molecular weight of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide?
The molecular weight of 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide is 259.08 g/mol.
Where can I buy 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide?
You can request a quote for 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(ethylsulfanyl)-N-(pyrimidin-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.