![2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide structure](/static/products/5995/5995-18-6.webp)
2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
TL;DR: 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide (CAS 5995-18-6) is a chemical compound with molecular formula C21H28ClN5O2S and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
Also Known As: 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide, 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide, 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
| Molecular Formula | C21H28ClN5O2S |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 3.4257 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.16522 |
| Heavy Atoms | 30 |
| Complexity | 839.7904 |
Chemical Identifiers
| CAS Number | 5995-18-6 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=C(C=C3)OC |
Product Overview
2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide (CAS 5995-18-6), with molecular formula C21H28ClN5O2S and molecular weight 449.17 g/mol. IUPAC: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide.
Chemical Property Profile of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
Property Insights of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
The XLogP value of 3.4257 indicates that 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide has 0 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 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The CAS number of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is 5995-18-6.
What is the molecular formula of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The molecular formula of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is C21H28ClN5O2S.
What is the molecular weight of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The molecular weight of 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is 449.17 g/mol.
Where can I buy 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
You can request a quote for 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-Chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.