舒尼替尼
TL;DR: 舒尼替尼 (CAS 557795-19-4) is a chemical compound with molecular formula C22H27FN4O2 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒尼替尼
N-[2-(diethylamino)ethyl]-5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Also Known As: (E)-Sunitinib, Sunitinib, Sunitinib malate, Sunitinib, Free base, Sunitinib Impurity A
| Molecular Formula | C22H27FN4O2 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 3.33494 |
| Topological Polar Surface Area | 77.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.2118 |
| Heavy Atoms | 29 |
| Complexity | 973.4321 |
Chemical Identifiers
| CAS Number | 557795-19-4 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C/2\C3=C(C=CC(=C3)F)NC2=O)C |
Product Overview
舒尼替尼 (CAS 557795-19-4), with molecular formula C22H27FN4O2 and molecular weight 398.21 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
Chemical Property Profile of 舒尼替尼
Property Insights of 舒尼替尼
The XLogP value of 3.33494 indicates that 舒尼替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 舒尼替尼. Following Lipinski's Rule of Five, 舒尼替尼 has 3 hydrogen bond donor(s) and 3 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 舒尼替尼?
The CAS number of 舒尼替尼 is 557795-19-4.
What is the molecular formula of 舒尼替尼?
The molecular formula of 舒尼替尼 is C22H27FN4O2.
What is the molecular weight of 舒尼替尼?
The molecular weight of 舒尼替尼 is 398.21 g/mol.
Where can I buy 舒尼替尼?
You can request a quote for 舒尼替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒尼替尼?
Yes, KEHONG BIO provides custom synthesis services for 舒尼替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.