BAS 00839602
TL;DR: BAS 00839602 (CAS 1225468-47-2) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00839602, (4Z)-4-(4-ethoxy-3-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one, (Z)-4-(4-ethoxy-3-methoxybenzylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, (4Z)-4-[(4-ETHOXY-3-METHOXYPHENYL)METHYLIDENE]-3-METHYL-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 1225468-47-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)OC |
| InChIKey | VHCCFCNOELPFCN-ATVHPVEESA-N |
Product Overview
BAS 00839602 (CAS 1225468-47-2), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00839602
Property Insights of BAS 00839602
The XLogP value of 3.7 indicates that BAS 00839602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, BAS 00839602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00839602 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 00839602?
The CAS number of BAS 00839602 is 1225468-47-2.
What is the molecular formula of BAS 00839602?
The molecular formula of BAS 00839602 is C20H20N2O3.
What is the molecular weight of BAS 00839602?
The molecular weight of BAS 00839602 is 336.15 g/mol.
Where can I buy BAS 00839602?
You can request a quote for BAS 00839602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00839602?
Yes, KEHONG BIO provides custom synthesis services for BAS 00839602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.