ChemDiv1_021117
TL;DR: ChemDiv1_021117 (CAS 355115-37-6) is a chemical compound with molecular formula C25H21FN2O3 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv1_021117, BIM-0035777.P001, AB00099761-01, 5-benzyl-3-(4-fluorophenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1065-0387
| Molecular Formula | C25H21FN2O3 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 4.18082 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.15363 |
| Heavy Atoms | 31 |
| Complexity | 1133.0188 |
Chemical Identifiers
| CAS Number | 355115-37-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_021117 (CAS 355115-37-6), with molecular formula C25H21FN2O3 and molecular weight 416.15 g/mol. IUPAC: 5-benzyl-3-(4-fluorophenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv1_021117
Property Insights of ChemDiv1_021117
The XLogP value of 4.18082 indicates that ChemDiv1_021117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, ChemDiv1_021117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021117 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 ChemDiv1_021117?
The CAS number of ChemDiv1_021117 is 355115-37-6.
What is the molecular formula of ChemDiv1_021117?
The molecular formula of ChemDiv1_021117 is C25H21FN2O3.
What is the molecular weight of ChemDiv1_021117?
The molecular weight of ChemDiv1_021117 is 416.15 g/mol.
Where can I buy ChemDiv1_021117?
You can request a quote for ChemDiv1_021117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021117?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.