BIM-0002689.P001
TL;DR: BIM-0002689.P001 (CAS 307953-03-3) is a chemical compound with molecular formula C23H18N4O5S2 and molecular weight 494.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BIM-0002689.P001, 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, (Z)-4-(5-((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-(5-((3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C23H18N4O5S2 |
|---|---|
| Molecular Weight | 494.07 g/mol |
| LogP | 4.5135 |
| Topological Polar Surface Area | 118.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.07187 |
| Heavy Atoms | 34 |
| Complexity | 1319.9045 |
Chemical Identifiers
| CAS Number | 307953-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])/C=C\4/C(=O)N(C(=S)S4)CCCC(=O)O |
Product Overview
BIM-0002689.P001 (CAS 307953-03-3), with molecular formula C23H18N4O5S2 and molecular weight 494.07 g/mol. IUPAC: 4-[(5Z)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BIM-0002689.P001
Property Insights of BIM-0002689.P001
The XLogP value of 4.5135 indicates that BIM-0002689.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0002689.P001. Following Lipinski's Rule of Five, BIM-0002689.P001 has 1 hydrogen bond donor(s) and 7 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-0002689.P001?
The CAS number of BIM-0002689.P001 is 307953-03-3.
What is the molecular formula of BIM-0002689.P001?
The molecular formula of BIM-0002689.P001 is C23H18N4O5S2.
What is the molecular weight of BIM-0002689.P001?
The molecular weight of BIM-0002689.P001 is 494.07 g/mol.
Where can I buy BIM-0002689.P001?
You can request a quote for BIM-0002689.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0002689.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0002689.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.