BAS 00598962
TL;DR: BAS 00598962 (CAS 329934-17-0) is a chemical compound with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,3-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00598962, 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, (E)-4-((2,3-dimethoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin- 5-one, 4-[(2,3-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C20H21N3O3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 3.25222 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1583 |
| Heavy Atoms | 26 |
| Complexity | 1001.13116 |
Chemical Identifiers
| CAS Number | 329934-17-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=CC=C3)OC)OC |
Product Overview
BAS 00598962 (CAS 329934-17-0), with molecular formula C20H21N3O3 and molecular weight 351.16 g/mol. IUPAC: 4-[(2,3-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00598962
Property Insights of BAS 00598962
The XLogP value of 3.25222 indicates that BAS 00598962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, BAS 00598962 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00598962 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 00598962?
The CAS number of BAS 00598962 is 329934-17-0.
What is the molecular formula of BAS 00598962?
The molecular formula of BAS 00598962 is C20H21N3O3.
What is the molecular weight of BAS 00598962?
The molecular weight of BAS 00598962 is 351.16 g/mol.
Where can I buy BAS 00598962?
You can request a quote for BAS 00598962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00598962?
Yes, KEHONG BIO provides custom synthesis services for BAS 00598962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.