A3731/0158149
TL;DR: A3731/0158149 (CAS 1005066-11-4) is a chemical compound with molecular formula C22H16FN3O3 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: A3731/0158149, 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-FLUOROPHENYL)-2-PHENYL-3-(4-PYRIDYL)DIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-fluorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C22H16FN3O3 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 3.2718 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.11758 |
| Heavy Atoms | 29 |
| Complexity | 1059.6802 |
Chemical Identifiers
| CAS Number | 1005066-11-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=NC=C5 |
Product Overview
A3731/0158149 (CAS 1005066-11-4), with molecular formula C22H16FN3O3 and molecular weight 389.12 g/mol. IUPAC: 5-(4-fluorophenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of A3731/0158149
Property Insights of A3731/0158149
The XLogP value of 3.2718 indicates that A3731/0158149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for A3731/0158149. Following Lipinski's Rule of Five, A3731/0158149 has 0 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 A3731/0158149?
The CAS number of A3731/0158149 is 1005066-11-4.
What is the molecular formula of A3731/0158149?
The molecular formula of A3731/0158149 is C22H16FN3O3.
What is the molecular weight of A3731/0158149?
The molecular weight of A3731/0158149 is 389.12 g/mol.
Where can I buy A3731/0158149?
You can request a quote for A3731/0158149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3731/0158149?
Yes, KEHONG BIO provides custom synthesis services for A3731/0158149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.