BIM-0003142.P001
TL;DR: BIM-0003142.P001 (CAS 312601-85-7) is a chemical compound with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]cyclohexane-1,3-dione
Also Known As: BIM-0003142.P001, 5,5-dimethyl-2-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene}-1,3-cyclohexanedione, AF-399/14266012, 5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]cyclohexane-1,3-dione, 5,5-dimethyl-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
| Molecular Formula | C22H20N2O2S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 4.9424 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.12454 |
| Heavy Atoms | 27 |
| Complexity | 1005.7194 |
Chemical Identifiers
| CAS Number | 312601-85-7 |
|---|---|
| SMILES | CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
BIM-0003142.P001 (CAS 312601-85-7), with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol. IUPAC: 5,5-dimethyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]cyclohexane-1,3-dione.
Chemical Property Profile of BIM-0003142.P001
Property Insights of BIM-0003142.P001
The XLogP value of 4.9424 indicates that BIM-0003142.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-0003142.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0003142.P001 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 BIM-0003142.P001?
The CAS number of BIM-0003142.P001 is 312601-85-7.
What is the molecular formula of BIM-0003142.P001?
The molecular formula of BIM-0003142.P001 is C22H20N2O2S.
What is the molecular weight of BIM-0003142.P001?
The molecular weight of BIM-0003142.P001 is 376.12 g/mol.
Where can I buy BIM-0003142.P001?
You can request a quote for BIM-0003142.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0003142.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0003142.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.