ChemDiv3_002331
TL;DR: ChemDiv3_002331 (CAS 352665-95-3) is a chemical compound with molecular formula C24H18ClFN2O3 and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(4-chlorophenyl)-3-(4-fluorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv3_002331, BAS 00567195, 5-benzyl-2-(4-chlorophenyl)-3-(4-fluorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, AB00092182-01, AF-399/36980024
| Molecular Formula | C24H18ClFN2O3 |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 4.5258 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.099 |
| Heavy Atoms | 31 |
| Complexity | 1121.826 |
Chemical Identifiers
| CAS Number | 352665-95-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
ChemDiv3_002331 (CAS 352665-95-3), with molecular formula C24H18ClFN2O3 and molecular weight 436.10 g/mol. IUPAC: 5-benzyl-2-(4-chlorophenyl)-3-(4-fluorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv3_002331
Property Insights of ChemDiv3_002331
The XLogP value of 4.5258 indicates that ChemDiv3_002331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv3_002331 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002331 has 0 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 ChemDiv3_002331?
The CAS number of ChemDiv3_002331 is 352665-95-3.
What is the molecular formula of ChemDiv3_002331?
The molecular formula of ChemDiv3_002331 is C24H18ClFN2O3.
What is the molecular weight of ChemDiv3_002331?
The molecular weight of ChemDiv3_002331 is 436.10 g/mol.
Where can I buy ChemDiv3_002331?
You can request a quote for ChemDiv3_002331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002331?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.