BIM-0003504.P001
TL;DR: BIM-0003504.P001 (CAS 313361-61-4) is a chemical compound with molecular formula C22H16BrN3O3S2 and molecular weight 512.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BIM-0003504.P001, (Z)-3-(5-((3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-(5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-{[3-(4-BROMOPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
| Molecular Formula | C22H16BrN3O3S2 |
|---|---|
| Molecular Weight | 512.98 g/mol |
| LogP | 4.9777 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.9816 |
| Heavy Atoms | 31 |
| Complexity | 1190.47 |
Chemical Identifiers
| CAS Number | 313361-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=C\4/C(=O)N(C(=S)S4)CCC(=O)O |
Product Overview
BIM-0003504.P001 (CAS 313361-61-4), with molecular formula C22H16BrN3O3S2 and molecular weight 512.98 g/mol. IUPAC: 3-[(5Z)-5-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of BIM-0003504.P001
Property Insights of BIM-0003504.P001
The XLogP value of 4.9777 indicates that BIM-0003504.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0003504.P001. Following Lipinski's Rule of Five, BIM-0003504.P001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0003504.P001?
The CAS number of BIM-0003504.P001 is 313361-61-4.
What is the molecular formula of BIM-0003504.P001?
The molecular formula of BIM-0003504.P001 is C22H16BrN3O3S2.
What is the molecular weight of BIM-0003504.P001?
The molecular weight of BIM-0003504.P001 is 512.98 g/mol.
Where can I buy BIM-0003504.P001?
You can request a quote for BIM-0003504.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0003504.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0003504.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.