BAS 02099054
TL;DR: BAS 02099054 (CAS 331839-31-7) is a chemical compound with molecular formula C19H19BrN2O2S and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate
Also Known As: BAS 02099054, ethyl (E)-3-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate, ethyl (2E)-3-[5-(4-bromophenyl)-3-(2-thienyl)(2-pyrazolinyl)]but-2-enoate, (E)-ethyl 3-(5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)but-2-enoate, ethyl (2E)-3-[5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
| Molecular Formula | C19H19BrN2O2S |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 5.1286 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.03506 |
| Heavy Atoms | 25 |
| Complexity | 797.34143 |
Chemical Identifiers
| CAS Number | 331839-31-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Br |
Product Overview
BAS 02099054 (CAS 331839-31-7), with molecular formula C19H19BrN2O2S and molecular weight 418.04 g/mol. IUPAC: ethyl (E)-3-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]but-2-enoate.
Chemical Property Profile of BAS 02099054
Property Insights of BAS 02099054
The XLogP value of 5.1286 indicates that BAS 02099054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, BAS 02099054 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02099054 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02099054?
The CAS number of BAS 02099054 is 331839-31-7.
What is the molecular formula of BAS 02099054?
The molecular formula of BAS 02099054 is C19H19BrN2O2S.
What is the molecular weight of BAS 02099054?
The molecular weight of BAS 02099054 is 418.04 g/mol.
Where can I buy BAS 02099054?
You can request a quote for BAS 02099054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02099054?
Yes, KEHONG BIO provides custom synthesis services for BAS 02099054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.