N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
TL;DR: N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 354129-87-6) is a chemical compound with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: BAS 02172980, AO-081/13878001, N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide, N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide, N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylthioacetamide
| Molecular Formula | C13H12ClN3O2S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.03387 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 354129-87-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=CC=N2 |
| InChIKey | GNAGUIXHIQRJSY-UHFFFAOYSA-N |
Product Overview
N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 354129-87-6), with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
Property Insights of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide has 1 hydrogen bond donor(s) and 5 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-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The CAS number of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is 354129-87-6.
What is the molecular formula of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular formula of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is C13H12ClN3O2S.
What is the molecular weight of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular weight of N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is 309.03 g/mol.
Where can I buy N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
You can request a quote for N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.