BAS 00126190
TL;DR: BAS 00126190 (CAS 301654-79-5) is a chemical compound with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
Also Known As: BAS 00126190, 2-(3-bromophenyl)-4-(3,4-dimethoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
| Molecular Formula | C19H17BrN2O3 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.2724 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.04224 |
| Heavy Atoms | 25 |
| Complexity | 889.988 |
Chemical Identifiers
| CAS Number | 301654-79-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)Br |
Product Overview
BAS 00126190 (CAS 301654-79-5), with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol. IUPAC: 2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of BAS 00126190
Property Insights of BAS 00126190
The XLogP value of 4.2724 indicates that BAS 00126190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, BAS 00126190 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126190 has 0 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 00126190?
The CAS number of BAS 00126190 is 301654-79-5.
What is the molecular formula of BAS 00126190?
The molecular formula of BAS 00126190 is C19H17BrN2O3.
What is the molecular weight of BAS 00126190?
The molecular weight of BAS 00126190 is 400.04 g/mol.
Where can I buy BAS 00126190?
You can request a quote for BAS 00126190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126190?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.