BIM-0004701.P001
TL;DR: BIM-0004701.P001 (CAS 6224-14-2) is a chemical compound with molecular formula C25H17FN2O6 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0004701.P001, 3-[(4-{(E)-[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, (E)-3-((4-((1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-[(4-{(E)-[1-(3-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 3-[[4-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C25H17FN2O6 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 3.7693 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.10706 |
| Heavy Atoms | 34 |
| Complexity | 1333.2423 |
Chemical Identifiers
| CAS Number | 6224-14-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F |
Product Overview
BIM-0004701.P001 (CAS 6224-14-2), with molecular formula C25H17FN2O6 and molecular weight 460.11 g/mol. IUPAC: 3-[[4-[(E)-[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0004701.P001
Property Insights of BIM-0004701.P001
The XLogP value of 3.7693 indicates that BIM-0004701.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0004701.P001. Following Lipinski's Rule of Five, BIM-0004701.P001 has 2 hydrogen bond donor(s) and 5 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-0004701.P001?
The CAS number of BIM-0004701.P001 is 6224-14-2.
What is the molecular formula of BIM-0004701.P001?
The molecular formula of BIM-0004701.P001 is C25H17FN2O6.
What is the molecular weight of BIM-0004701.P001?
The molecular weight of BIM-0004701.P001 is 460.11 g/mol.
Where can I buy BIM-0004701.P001?
You can request a quote for BIM-0004701.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004701.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004701.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.