达沙替尼
TL;DR: 达沙替尼 (CAS 863127-77-9) is a chemical compound with molecular formula C22H26ClN7O2S and molecular weight 487.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
达沙替尼
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Also Known As: Dasatinib, Sprycel, Dasatinib anhydrous, dasatinibum, anh. dasatinib
| Molecular Formula | C22H26ClN7O2S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 3.31354 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.15573 |
| Heavy Atoms | 33 |
| Complexity | 1111.4321 |
Chemical Identifiers
| CAS Number | 863127-77-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO |
Product Overview
达沙替尼 (CAS 863127-77-9), with molecular formula C22H26ClN7O2S and molecular weight 487.16 g/mol. IUPAC: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 达沙替尼
Property Insights of 达沙替尼
The XLogP value of 3.31354 indicates that 达沙替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 达沙替尼. Following Lipinski's Rule of Five, 达沙替尼 has 3 hydrogen bond donor(s) and 9 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 达沙替尼?
The CAS number of 达沙替尼 is 863127-77-9.
What is the molecular formula of 达沙替尼?
The molecular formula of 达沙替尼 is C22H26ClN7O2S.
What is the molecular weight of 达沙替尼?
The molecular weight of 达沙替尼 is 487.16 g/mol.
Where can I buy 达沙替尼?
You can request a quote for 达沙替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 达沙替尼?
Yes, KEHONG BIO provides custom synthesis services for 达沙替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.