BIM-0031647.P001
TL;DR: BIM-0031647.P001 (CAS 307538-79-0) is a chemical compound with molecular formula C13H10N2O5S2 and molecular weight 338.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: BIM-0031647.P001, methyl 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, (E)-methyl 2-(5-(3-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, methyl [(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-{5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ace tate
| Molecular Formula | C13H10N2O5S2 |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 1.969 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0031 |
| Heavy Atoms | 22 |
| Complexity | 701.4258 |
Chemical Identifiers
| CAS Number | 307538-79-0 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/SC1=S |
Product Overview
BIM-0031647.P001 (CAS 307538-79-0), with molecular formula C13H10N2O5S2 and molecular weight 338.00 g/mol. IUPAC: methyl 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of BIM-0031647.P001
Property Insights of BIM-0031647.P001
The XLogP value of 1.969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0031647.P001. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0031647.P001. Following Lipinski's Rule of Five, BIM-0031647.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-0031647.P001?
The CAS number of BIM-0031647.P001 is 307538-79-0.
What is the molecular formula of BIM-0031647.P001?
The molecular formula of BIM-0031647.P001 is C13H10N2O5S2.
What is the molecular weight of BIM-0031647.P001?
The molecular weight of BIM-0031647.P001 is 338.00 g/mol.
Where can I buy BIM-0031647.P001?
You can request a quote for BIM-0031647.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0031647.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0031647.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.