BIM-0044418.P001
TL;DR: BIM-0044418.P001 (CAS 310420-79-2) is a chemical compound with molecular formula C23H18N2O6S and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate
Also Known As: BIM-0044418.P001, (E)-4-((3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl)-2-methoxyphenyl benzenesulfonate, [4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate, 4-[(E)-(3-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate, 4-{[(4E)-3,5-DIOXO-1-PHENYLPYRAZOLIDIN-4-YLIDENE]METHYL}-2-METHOXYPHENYL BENZENESULFONATE
| Molecular Formula | C23H18N2O6S |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 2.9243 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.08856 |
| Heavy Atoms | 32 |
| Complexity | 1304.828 |
Chemical Identifiers
| CAS Number | 310420-79-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4 |
Product Overview
BIM-0044418.P001 (CAS 310420-79-2), with molecular formula C23H18N2O6S and molecular weight 450.09 g/mol. IUPAC: [4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate.
Chemical Property Profile of BIM-0044418.P001
Property Insights of BIM-0044418.P001
The XLogP value of 2.9243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0044418.P001. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044418.P001. Following Lipinski's Rule of Five, BIM-0044418.P001 has 1 hydrogen bond donor(s) and 6 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-0044418.P001?
The CAS number of BIM-0044418.P001 is 310420-79-2.
What is the molecular formula of BIM-0044418.P001?
The molecular formula of BIM-0044418.P001 is C23H18N2O6S.
What is the molecular weight of BIM-0044418.P001?
The molecular weight of BIM-0044418.P001 is 450.09 g/mol.
Where can I buy BIM-0044418.P001?
You can request a quote for BIM-0044418.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044418.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044418.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.