BAS 00549519
TL;DR: BAS 00549519 (CAS 178532-79-1) is a chemical compound with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-(2-hydroxyethyl)butanediamide
Also Known As: BAS 00549519, AE-641/30410008, N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-(2-hydroxyethyl)butanediamide, N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-N'-(2-hydroxyethyl)butane-1, 4-diamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(2-hydroxyethyl)butanediamide
| Molecular Formula | C17H22N4O4 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 0.31162 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1641 |
| Heavy Atoms | 25 |
| Complexity | 808.0456 |
Chemical Identifiers
| CAS Number | 178532-79-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)NCCO |
Product Overview
BAS 00549519 (CAS 178532-79-1), with molecular formula C17H22N4O4 and molecular weight 346.16 g/mol. IUPAC: N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-(2-hydroxyethyl)butanediamide.
Chemical Property Profile of BAS 00549519
Property Insights of BAS 00549519
The XLogP value of 0.31162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00549519. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00549519. Following Lipinski's Rule of Five, BAS 00549519 has 3 hydrogen bond donor(s) and 4 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 BAS 00549519?
The CAS number of BAS 00549519 is 178532-79-1.
What is the molecular formula of BAS 00549519?
The molecular formula of BAS 00549519 is C17H22N4O4.
What is the molecular weight of BAS 00549519?
The molecular weight of BAS 00549519 is 346.16 g/mol.
Where can I buy BAS 00549519?
You can request a quote for BAS 00549519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00549519?
Yes, KEHONG BIO provides custom synthesis services for BAS 00549519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.