BIM-0045951.P001
TL;DR: BIM-0045951.P001 (CAS 307346-91-4) is a chemical compound with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: BIM-0045951.P001, methyl 4-[(E)-[[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate, (E)-methyl 4-((2-(2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetyl)hydrazono)methyl)benzoate, methyl 4-[(E)-{2-[(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetyl]hydrazinylidene}methyl]benzoate
| Molecular Formula | C15H16N4O4 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 0.4353 |
| Topological Polar Surface Area | 109.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.11716 |
| Heavy Atoms | 23 |
| Complexity | 679.2222 |
Chemical Identifiers
| CAS Number | 307346-91-4 |
|---|---|
| SMILES | CC1=NNC(=O)C1CC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC |
Product Overview
BIM-0045951.P001 (CAS 307346-91-4), with molecular formula C15H16N4O4 and molecular weight 316.12 g/mol. IUPAC: methyl 4-[(E)-[[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of BIM-0045951.P001
Property Insights of BIM-0045951.P001
The XLogP value of 0.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0045951.P001. The TPSA of 109.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045951.P001. Following Lipinski's Rule of Five, BIM-0045951.P001 has 2 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-0045951.P001?
The CAS number of BIM-0045951.P001 is 307346-91-4.
What is the molecular formula of BIM-0045951.P001?
The molecular formula of BIM-0045951.P001 is C15H16N4O4.
What is the molecular weight of BIM-0045951.P001?
The molecular weight of BIM-0045951.P001 is 316.12 g/mol.
Where can I buy BIM-0045951.P001?
You can request a quote for BIM-0045951.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045951.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045951.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.