BIM-0009008.P001
TL;DR: BIM-0009008.P001 (CAS 5994-93-4) is a chemical compound with molecular formula C21H12ClFN2O5 and molecular weight 426.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: BIM-0009008.P001, AN-023/13175010, 3-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoic acid, 3-(5-{(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid, 3-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C21H12ClFN2O5 |
|---|---|
| Molecular Weight | 426.04 g/mol |
| LogP | 3.8987 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.04187 |
| Heavy Atoms | 30 |
| Complexity | 1233.6396 |
Chemical Identifiers
| CAS Number | 5994-93-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl |
Product Overview
BIM-0009008.P001 (CAS 5994-93-4), with molecular formula C21H12ClFN2O5 and molecular weight 426.04 g/mol. IUPAC: 3-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BIM-0009008.P001
Property Insights of BIM-0009008.P001
The XLogP value of 3.8987 indicates that BIM-0009008.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0009008.P001. Following Lipinski's Rule of Five, BIM-0009008.P001 has 2 hydrogen bond donor(s) and 4 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-0009008.P001?
The CAS number of BIM-0009008.P001 is 5994-93-4.
What is the molecular formula of BIM-0009008.P001?
The molecular formula of BIM-0009008.P001 is C21H12ClFN2O5.
What is the molecular weight of BIM-0009008.P001?
The molecular weight of BIM-0009008.P001 is 426.04 g/mol.
Where can I buy BIM-0009008.P001?
You can request a quote for BIM-0009008.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0009008.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0009008.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.