Rosabulin
TL;DR: Rosabulin (CAS 501948-45-4) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
Also Known As: Rosabulin, rosabulina, rosabuline, rosabulinum, Rosabulin [USAN]
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.9881 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1262.2021 |
Chemical Identifiers
| CAS Number | 501948-45-4 |
|---|---|
| SMILES | CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#N |
Product Overview
Rosabulin (CAS 501948-45-4), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.
Chemical Property Profile of Rosabulin
Property Insights of Rosabulin
The XLogP value of 3.9881 indicates that Rosabulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Rosabulin. Following Lipinski's Rule of Five, Rosabulin has 1 hydrogen bond donor(s) and 5 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 Rosabulin?
The CAS number of Rosabulin is 501948-45-4.
What is the molecular formula of Rosabulin?
The molecular formula of Rosabulin is C22H16N4O2S.
What is the molecular weight of Rosabulin?
The molecular weight of Rosabulin is 400.10 g/mol.
Where can I buy Rosabulin?
You can request a quote for Rosabulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rosabulin?
Yes, KEHONG BIO provides custom synthesis services for Rosabulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.