BIM-0031142.P001
TL;DR: BIM-0031142.P001 (CAS 19389-16-3) is a chemical compound with molecular formula C14H12N2O5S2 and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BIM-0031142.P001, AB00103000-01, methyl 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, methyl 3-[(5E)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C14H12N2O5S2 |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 2.3591 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.01877 |
| Heavy Atoms | 23 |
| Complexity | 699.6241 |
Chemical Identifiers
| CAS Number | 19389-16-3 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S |
Product Overview
BIM-0031142.P001 (CAS 19389-16-3), with molecular formula C14H12N2O5S2 and molecular weight 352.02 g/mol. IUPAC: methyl 3-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BIM-0031142.P001
Property Insights of BIM-0031142.P001
The XLogP value of 2.3591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0031142.P001. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031142.P001. Following Lipinski's Rule of Five, BIM-0031142.P001 has 0 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-0031142.P001?
The CAS number of BIM-0031142.P001 is 19389-16-3.
What is the molecular formula of BIM-0031142.P001?
The molecular formula of BIM-0031142.P001 is C14H12N2O5S2.
What is the molecular weight of BIM-0031142.P001?
The molecular weight of BIM-0031142.P001 is 352.02 g/mol.
Where can I buy BIM-0031142.P001?
You can request a quote for BIM-0031142.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0031142.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0031142.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.