elastatinal
TL;DR: elastatinal (CAS 51798-45-9) is a chemical compound with molecular formula C21H36N8O7 and molecular weight 512.2707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
Also Known As: elastatinal, Tofacitinib, SMP2_000210, 2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid, 9-(3-amino-3-oxopropyl)-6-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-12-methyl-2-(2-methylpropyl)-4,7,10,13-tetraoxo-3,5,8,11-tetraazatridecan-1-oic acid(non-preferred name)
Technical Specifications
| Molecular Formula | C21H36N8O7 |
| Molecular Weight | 512.2707 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 512.2707 Da |
| Heavy Atoms | 36 |
| Complexity | 863.0 |
| SMILES | CC(C)CC(C(=O)O)NC(=O)NC(C1CCN=C(N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O |
| InChIKey | IJWCGVPEDDQUDE-UHFFFAOYSA-N |
Product Description
Applications: elastatinal is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies elastatinal (CAS 51798-45-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, elastatinal (CAS 51798-45-9) has the molecular formula C21H36N8O7 and a molecular weight of 512.27 g/mol. It is also known as elastatinal and Tofacitinib.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of elastatinal
Property Insights of elastatinal
The XLogP value of -2.6 indicates that elastatinal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting elastatinal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, elastatinal has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of elastatinal?
The CAS number of elastatinal is 51798-45-9.
What is the molecular formula of elastatinal?
The molecular formula of elastatinal is C21H36N8O7.
What is the molecular weight of elastatinal?
The molecular weight of elastatinal is 512.2707 g/mol.
What are the applications of elastatinal?
elastatinal is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies elastatinal (CAS 51798-45-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy elastatinal?
You can request a quote for elastatinal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for elastatinal?
Yes, CoreyChem provides custom synthesis services for elastatinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.