AE-641/11700409
TL;DR: AE-641/11700409 (CAS 353273-80-0) is a chemical compound with molecular formula C24H19BrN2O4 and molecular weight 478.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: AE-641/11700409, 5-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-BENZYL-3-(5-BR-2-HO-PHENYL)-2-PH-TETRAHYDRO-PYRROLO(3,4-D)ISOXAZOLE-4,6-DIONE, 5-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C24H19BrN2O4 |
|---|---|
| Molecular Weight | 478.05 g/mol |
| LogP | 4.2014 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.05283 |
| Heavy Atoms | 31 |
| Complexity | 1138.8309 |
Chemical Identifiers
| CAS Number | 353273-80-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O |
Product Overview
AE-641/11700409 (CAS 353273-80-0), with molecular formula C24H19BrN2O4 and molecular weight 478.05 g/mol. IUPAC: 5-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of AE-641/11700409
Property Insights of AE-641/11700409
The XLogP value of 4.2014 indicates that AE-641/11700409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/11700409. Following Lipinski's Rule of Five, AE-641/11700409 has 1 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 AE-641/11700409?
The CAS number of AE-641/11700409 is 353273-80-0.
What is the molecular formula of AE-641/11700409?
The molecular formula of AE-641/11700409 is C24H19BrN2O4.
What is the molecular weight of AE-641/11700409?
The molecular weight of AE-641/11700409 is 478.05 g/mol.
Where can I buy AE-641/11700409?
You can request a quote for AE-641/11700409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11700409?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11700409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.