BIM-0045060.P001
TL;DR: BIM-0045060.P001 (CAS 6089-23-2) is a chemical compound with molecular formula C18H14N2O7S3 and molecular weight 466.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
Also Known As: BIM-0045060.P001, 2-ethoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzenesulfonate, [2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
| Molecular Formula | C18H14N2O7S3 |
|---|---|
| Molecular Weight | 466.00 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.9963 |
| Heavy Atoms | 30 |
| Complexity | 1158.8025 |
Chemical Identifiers
| CAS Number | 6089-23-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)S2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BIM-0045060.P001 (CAS 6089-23-2), with molecular formula C18H14N2O7S3 and molecular weight 466.00 g/mol. IUPAC: [2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of BIM-0045060.P001
Property Insights of BIM-0045060.P001
The XLogP value of 3.25 indicates that BIM-0045060.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045060.P001. Following Lipinski's Rule of Five, BIM-0045060.P001 has 1 hydrogen bond donor(s) and 9 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-0045060.P001?
The CAS number of BIM-0045060.P001 is 6089-23-2.
What is the molecular formula of BIM-0045060.P001?
The molecular formula of BIM-0045060.P001 is C18H14N2O7S3.
What is the molecular weight of BIM-0045060.P001?
The molecular weight of BIM-0045060.P001 is 466.00 g/mol.
Where can I buy BIM-0045060.P001?
You can request a quote for BIM-0045060.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045060.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045060.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.