BIM-0002572.P001
TL;DR: BIM-0002572.P001 (CAS 313049-82-0) is a chemical compound with molecular formula C27H24N2O2S and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-phenylpropyl] ethanethioate
Also Known As: BIM-0002572.P001, S-{1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-phenylpropyl} ethanethioate, S-(3-oxo-3-phenyl-1-(1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)propyl) ethanethioate, S-[1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-phenylpropyl] ethanethioate
| Molecular Formula | C27H24N2O2S |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 6.44152 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.15585 |
| Heavy Atoms | 32 |
| Complexity | 1215.7732 |
Chemical Identifiers
| CAS Number | 313049-82-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2C(CC(=O)C3=CC=CC=C3)SC(=O)C)C4=CC=CC=C4 |
Product Overview
BIM-0002572.P001 (CAS 313049-82-0), with molecular formula C27H24N2O2S and molecular weight 440.16 g/mol. IUPAC: S-[1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-phenylpropyl] ethanethioate.
Chemical Property Profile of BIM-0002572.P001
Property Insights of BIM-0002572.P001
The XLogP value of 6.44152 indicates that BIM-0002572.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BIM-0002572.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0002572.P001 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 BIM-0002572.P001?
The CAS number of BIM-0002572.P001 is 313049-82-0.
What is the molecular formula of BIM-0002572.P001?
The molecular formula of BIM-0002572.P001 is C27H24N2O2S.
What is the molecular weight of BIM-0002572.P001?
The molecular weight of BIM-0002572.P001 is 440.16 g/mol.
Where can I buy BIM-0002572.P001?
You can request a quote for BIM-0002572.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0002572.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0002572.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.