BAS 12290046
TL;DR: BAS 12290046 (CAS 876899-96-6) is a chemical compound with molecular formula C19H26N4O4 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Also Known As: BAS 12290046, 3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)propan-1-one, 1-{3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-methylpiperazine, 3-(3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
| Molecular Formula | C19H26N4O4 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 1.8505 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1954 |
| Heavy Atoms | 27 |
| Complexity | 768.8202 |
Chemical Identifiers
| CAS Number | 876899-96-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C)OC |
Product Overview
BAS 12290046 (CAS 876899-96-6), with molecular formula C19H26N4O4 and molecular weight 374.20 g/mol. IUPAC: 3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of BAS 12290046
Property Insights of BAS 12290046
The XLogP value of 1.8505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12290046. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12290046. Following Lipinski's Rule of Five, BAS 12290046 has 0 hydrogen bond donor(s) and 7 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 12290046?
The CAS number of BAS 12290046 is 876899-96-6.
What is the molecular formula of BAS 12290046?
The molecular formula of BAS 12290046 is C19H26N4O4.
What is the molecular weight of BAS 12290046?
The molecular weight of BAS 12290046 is 374.20 g/mol.
Where can I buy BAS 12290046?
You can request a quote for BAS 12290046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12290046?
Yes, KEHONG BIO provides custom synthesis services for BAS 12290046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.