BAS 00428394
TL;DR: BAS 00428394 (CAS 185054-02-8) is a chemical compound with molecular formula C30H28N4O4 and molecular weight 508.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-benzodioxol-5-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00428394, AF-399/33697030, A0165/0007391, 4-[1,3-benzodioxol-5-yl(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[1,3-benzodioxol-5-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C30H28N4O4 |
|---|---|
| Molecular Weight | 508.21 g/mol |
| LogP | 4.19114 |
| Topological Polar Surface Area | 72.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.21106 |
| Heavy Atoms | 38 |
| Complexity | 1671.4939 |
Chemical Identifiers
| CAS Number | 185054-02-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C |
Product Overview
BAS 00428394 (CAS 185054-02-8), with molecular formula C30H28N4O4 and molecular weight 508.21 g/mol. IUPAC: 4-[1,3-benzodioxol-5-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00428394
Property Insights of BAS 00428394
The XLogP value of 4.19114 indicates that BAS 00428394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00428394. Following Lipinski's Rule of Five, BAS 00428394 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00428394?
The CAS number of BAS 00428394 is 185054-02-8.
What is the molecular formula of BAS 00428394?
The molecular formula of BAS 00428394 is C30H28N4O4.
What is the molecular weight of BAS 00428394?
The molecular weight of BAS 00428394 is 508.21 g/mol.
Where can I buy BAS 00428394?
You can request a quote for BAS 00428394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00428394?
Yes, KEHONG BIO provides custom synthesis services for BAS 00428394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.