![2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide structure](/static/products/5899/5899-97-8.webp)
2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
TL;DR: 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide (CAS 5899-97-8) is a chemical compound with molecular formula C21H34ClN5O2S and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
Also Known As: 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide, 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
| Molecular Formula | C21H34ClN5O2S |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 3.5638 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.2122 |
| Heavy Atoms | 30 |
| Complexity | 751.4025 |
Chemical Identifiers
| CAS Number | 5899-97-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CC(C)(C)C |
Product Overview
2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide (CAS 5899-97-8), with molecular formula C21H34ClN5O2S and molecular weight 455.21 g/mol. IUPAC: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide.
Chemical Property Profile of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
Property Insights of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide
The XLogP value of 3.5638 indicates that 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-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 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 6 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-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The CAS number of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is 5899-97-8.
What is the molecular formula of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The molecular formula of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is C21H34ClN5O2S.
What is the molecular weight of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
The molecular weight of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide is 455.21 g/mol.
Where can I buy 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
You can request a quote for 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-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-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.