BAS 00549515
TL;DR: BAS 00549515 (CAS 178532-80-4) is a chemical compound with molecular formula C16H20N4O3 and molecular weight 316.15 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-methylbutanediamide
Also Known As: BAS 00549515, AE-641/30410002, N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylbutanediamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-methylbutanediamide, N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~4~-methylsuccinamide
| Molecular Formula | C16H20N4O3 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 0.94912 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.15353 |
| Heavy Atoms | 23 |
| Complexity | 774.6133 |
Chemical Identifiers
| CAS Number | 178532-80-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCC(=O)NC |
Product Overview
BAS 00549515 (CAS 178532-80-4), with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol. IUPAC: N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylbutanediamide.
Chemical Property Profile of BAS 00549515
Property Insights of BAS 00549515
The XLogP value of 0.94912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00549515. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00549515. Following Lipinski's Rule of Five, BAS 00549515 has 2 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 BAS 00549515?
The CAS number of BAS 00549515 is 178532-80-4.
What is the molecular formula of BAS 00549515?
The molecular formula of BAS 00549515 is C16H20N4O3.
What is the molecular weight of BAS 00549515?
The molecular weight of BAS 00549515 is 316.15 g/mol.
Where can I buy BAS 00549515?
You can request a quote for BAS 00549515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00549515?
Yes, KEHONG BIO provides custom synthesis services for BAS 00549515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.