BAS 04881453
TL;DR: BAS 04881453 (CAS 766533-31-7) is a chemical compound with molecular formula C26H23ClN2O5 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: BAS 04881453, 2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1199-0197, 2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C26H23ClN2O5 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 4.71672 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.12955 |
| Heavy Atoms | 34 |
| Complexity | 1245.0508 |
Chemical Identifiers
| CAS Number | 766533-31-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)OC)OC |
Product Overview
BAS 04881453 (CAS 766533-31-7), with molecular formula C26H23ClN2O5 and molecular weight 478.13 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of BAS 04881453
Property Insights of BAS 04881453
The XLogP value of 4.71672 indicates that BAS 04881453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04881453. Following Lipinski's Rule of Five, BAS 04881453 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 BAS 04881453?
The CAS number of BAS 04881453 is 766533-31-7.
What is the molecular formula of BAS 04881453?
The molecular formula of BAS 04881453 is C26H23ClN2O5.
What is the molecular weight of BAS 04881453?
The molecular weight of BAS 04881453 is 478.13 g/mol.
Where can I buy BAS 04881453?
You can request a quote for BAS 04881453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04881453?
Yes, KEHONG BIO provides custom synthesis services for BAS 04881453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.