BIM-0049649.P001
TL;DR: BIM-0049649.P001 (CAS 6067-34-1) is a chemical compound with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4H-pyrazole-3-carboxylate
Also Known As: BIM-0049649.P001, methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4H-pyrazole-3-carboxylate, methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C18H15N3O6 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 1.815 |
| Topological Polar Surface Area | 122.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0961 |
| Heavy Atoms | 27 |
| Complexity | 943.123 |
Chemical Identifiers
| CAS Number | 6067-34-1 |
|---|---|
| SMILES | COC(=O)C1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BIM-0049649.P001 (CAS 6067-34-1), with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol. IUPAC: methyl 5-hydroxy-1-(3-nitrobenzoyl)-5-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of BIM-0049649.P001
Property Insights of BIM-0049649.P001
The XLogP value of 1.815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0049649.P001. The TPSA of 122.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049649.P001. Following Lipinski's Rule of Five, BIM-0049649.P001 has 1 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-0049649.P001?
The CAS number of BIM-0049649.P001 is 6067-34-1.
What is the molecular formula of BIM-0049649.P001?
The molecular formula of BIM-0049649.P001 is C18H15N3O6.
What is the molecular weight of BIM-0049649.P001?
The molecular weight of BIM-0049649.P001 is 369.10 g/mol.
Where can I buy BIM-0049649.P001?
You can request a quote for BIM-0049649.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049649.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049649.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.