A3561/0151051
TL;DR: A3561/0151051 (CAS 1005056-45-0) is a chemical compound with molecular formula C23H16F2N2O3 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: A3561/0151051, 3,5-bis(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3,5-bis(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3,5-bis(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3,5-BIS(4-FLUOROPHENYL)-2-PHENYLDIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE
| Molecular Formula | C23H16F2N2O3 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 4.0159 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.11288 |
| Heavy Atoms | 30 |
| Complexity | 1103.5569 |
Chemical Identifiers
| CAS Number | 1005056-45-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
Product Overview
A3561/0151051 (CAS 1005056-45-0), with molecular formula C23H16F2N2O3 and molecular weight 406.11 g/mol. IUPAC: 3,5-bis(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of A3561/0151051
Property Insights of A3561/0151051
The XLogP value of 4.0159 indicates that A3561/0151051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, A3561/0151051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3561/0151051 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 A3561/0151051?
The CAS number of A3561/0151051 is 1005056-45-0.
What is the molecular formula of A3561/0151051?
The molecular formula of A3561/0151051 is C23H16F2N2O3.
What is the molecular weight of A3561/0151051?
The molecular weight of A3561/0151051 is 406.11 g/mol.
Where can I buy A3561/0151051?
You can request a quote for A3561/0151051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3561/0151051?
Yes, KEHONG BIO provides custom synthesis services for A3561/0151051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.