BAS 00108252
TL;DR: BAS 00108252 (CAS 41554-26-1) is a chemical compound with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00108252, F1345-0043, 4-{[(1E)-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, (E)-4-((2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C19H19N3O2 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.03222 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.14774 |
| Heavy Atoms | 24 |
| Complexity | 970.0311 |
Chemical Identifiers
| CAS Number | 41554-26-1 |
|---|---|
| SMILES | CC1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=CC1=O)C |
Product Overview
BAS 00108252 (CAS 41554-26-1), with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol. IUPAC: 4-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00108252
Property Insights of BAS 00108252
The XLogP value of 3.03222 indicates that BAS 00108252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, BAS 00108252 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108252 has 0 hydrogen bond donor(s) and 3 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 00108252?
The CAS number of BAS 00108252 is 41554-26-1.
What is the molecular formula of BAS 00108252?
The molecular formula of BAS 00108252 is C19H19N3O2.
What is the molecular weight of BAS 00108252?
The molecular weight of BAS 00108252 is 321.15 g/mol.
Where can I buy BAS 00108252?
You can request a quote for BAS 00108252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108252?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.