ChemDiv3_004332
TL;DR: ChemDiv3_004332 (CAS 474005-16-8) is a chemical compound with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-fluorophenyl)-2-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ChemDiv3_004332, IDI1_022242, BAS 04881468, BRD-A62726594-001-01-2, F1199-0161
| Molecular Formula | C26H21FN2O5 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 3.97182 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.14346 |
| Heavy Atoms | 34 |
| Complexity | 1275.1083 |
Chemical Identifiers
| CAS Number | 474005-16-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC)C5=CC=C(C=C5)F |
Product Overview
ChemDiv3_004332 (CAS 474005-16-8), with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol. IUPAC: methyl 4-[3-(4-fluorophenyl)-2-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of ChemDiv3_004332
Property Insights of ChemDiv3_004332
The XLogP value of 3.97182 indicates that ChemDiv3_004332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004332. Following Lipinski's Rule of Five, ChemDiv3_004332 has 0 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 ChemDiv3_004332?
The CAS number of ChemDiv3_004332 is 474005-16-8.
What is the molecular formula of ChemDiv3_004332?
The molecular formula of ChemDiv3_004332 is C26H21FN2O5.
What is the molecular weight of ChemDiv3_004332?
The molecular weight of ChemDiv3_004332 is 460.14 g/mol.
Where can I buy ChemDiv3_004332?
You can request a quote for ChemDiv3_004332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004332?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.