A3563/0151130
TL;DR: A3563/0151130 (CAS 675188-75-7) is a chemical compound with molecular formula C13H9BrN2O5 and molecular weight 351.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: A3563/0151130, methyl 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate, METHYL 5-(4-BROMOPHENYL)-4,6-DIOXO-3AH,4H,5H,6H,6AH-PYRROLO[3,4-D][1,2]OXAZOLE-3-CARBOXYLATE, methyl 5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate, methyl 5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate
| Molecular Formula | C13H9BrN2O5 |
|---|---|
| Molecular Weight | 351.97 g/mol |
| LogP | 0.8663 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.96948 |
| Heavy Atoms | 21 |
| Complexity | 669.6441 |
Chemical Identifiers
| CAS Number | 675188-75-7 |
|---|---|
| SMILES | COC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br |
Product Overview
A3563/0151130 (CAS 675188-75-7), with molecular formula C13H9BrN2O5 and molecular weight 351.97 g/mol. IUPAC: methyl 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of A3563/0151130
Property Insights of A3563/0151130
The XLogP value of 0.8663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3563/0151130. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3563/0151130. Following Lipinski's Rule of Five, A3563/0151130 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 A3563/0151130?
The CAS number of A3563/0151130 is 675188-75-7.
What is the molecular formula of A3563/0151130?
The molecular formula of A3563/0151130 is C13H9BrN2O5.
What is the molecular weight of A3563/0151130?
The molecular weight of A3563/0151130 is 351.97 g/mol.
Where can I buy A3563/0151130?
You can request a quote for A3563/0151130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3563/0151130?
Yes, KEHONG BIO provides custom synthesis services for A3563/0151130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.