BAS 00641338
TL;DR: BAS 00641338 (CAS 68178-58-5) is a chemical compound with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00641338, BIM-0026203.P001, 4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4E)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[(4-chloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C17H14ClN3O |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.87802 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.08255 |
| Heavy Atoms | 22 |
| Complexity | 861.16974 |
Chemical Identifiers
| CAS Number | 68178-58-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00641338 (CAS 68178-58-5), with molecular formula C17H14ClN3O and molecular weight 311.08 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00641338
Property Insights of BAS 00641338
The XLogP value of 3.87802 indicates that BAS 00641338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, BAS 00641338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00641338 has 1 hydrogen bond donor(s) and 2 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 00641338?
The CAS number of BAS 00641338 is 68178-58-5.
What is the molecular formula of BAS 00641338?
The molecular formula of BAS 00641338 is C17H14ClN3O.
What is the molecular weight of BAS 00641338?
The molecular weight of BAS 00641338 is 311.08 g/mol.
Where can I buy BAS 00641338?
You can request a quote for BAS 00641338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641338?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.