BIM-0039733.P001
TL;DR: BIM-0039733.P001 (CAS 330956-07-5) is a chemical compound with molecular formula C19H11Cl2FN2O6 and molecular weight 452.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: BIM-0039733.P001, (2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, 2-[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid, (2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C19H11Cl2FN2O6 |
|---|---|
| Molecular Weight | 452.00 g/mol |
| LogP | 3.2623 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.99783 |
| Heavy Atoms | 30 |
| Complexity | 1077.6986 |
Chemical Identifiers
| CAS Number | 330956-07-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)/C(=O)NC2=O)F |
Product Overview
BIM-0039733.P001 (CAS 330956-07-5), with molecular formula C19H11Cl2FN2O6 and molecular weight 452.00 g/mol. IUPAC: 2-[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BIM-0039733.P001
Property Insights of BIM-0039733.P001
The XLogP value of 3.2623 indicates that BIM-0039733.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-0039733.P001. Following Lipinski's Rule of Five, BIM-0039733.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-0039733.P001?
The CAS number of BIM-0039733.P001 is 330956-07-5.
What is the molecular formula of BIM-0039733.P001?
The molecular formula of BIM-0039733.P001 is C19H11Cl2FN2O6.
What is the molecular weight of BIM-0039733.P001?
The molecular weight of BIM-0039733.P001 is 452.00 g/mol.
Where can I buy BIM-0039733.P001?
You can request a quote for BIM-0039733.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039733.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039733.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.