![2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide structure](/static/products/5900/5900-03-8.webp)
2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide
TL;DR: 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide (CAS 5900-03-8) is a chemical compound with molecular formula C23H31ClN6O2S and molecular weight 490.19 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-(pyridin-3-ylmethyl)acetamide
Also Known As: 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide, 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide
| Molecular Formula | C23H31ClN6O2S |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 3.4068 |
| Topological Polar Surface Area | 91.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.19177 |
| Heavy Atoms | 33 |
| Complexity | 969.1691 |
Chemical Identifiers
| CAS Number | 5900-03-8 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)CC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl |
Product Overview
2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide (CAS 5900-03-8), with molecular formula C23H31ClN6O2S and molecular weight 490.19 g/mol. IUPAC: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide
Property Insights of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide
The XLogP value of 3.4068 indicates that 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.32 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-[(pyridin-3-yl)methyl]acetamide. Following Lipinski's Rule of Five, 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide has 1 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-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide?
The CAS number of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide is 5900-03-8.
What is the molecular formula of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide?
The molecular formula of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide is C23H31ClN6O2S.
What is the molecular weight of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide?
The molecular weight of 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide is 490.19 g/mol.
Where can I buy 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide?
You can request a quote for 2-({4-Chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]acetamide 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-[(pyridin-3-yl)methyl]acetamide?
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-[(pyridin-3-yl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.