AB01278840-01
TL;DR: AB01278840-01 (CAS 370076-58-7) is a chemical compound with molecular formula C21H17BrN4O3 and molecular weight 452.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-8-bromo-3-methyl-7-phenacylpurine-2,6-dione
Also Known As: AB01278840-01, 1-benzyl-8-bromo-3-methyl-7-phenacyl-purine-2,6-dione, 1-benzyl-8-bromo-3-methyl-7-phenacylpurine-2,6-dione, 1-benzyl-8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 1-benzyl-8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H17BrN4O3 |
|---|---|
| Molecular Weight | 452.05 g/mol |
| LogP | 2.5904 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0484 |
| Heavy Atoms | 29 |
| Complexity | 1321.5428 |
Chemical Identifiers
| CAS Number | 370076-58-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC(=O)C4=CC=CC=C4 |
Product Overview
AB01278840-01 (CAS 370076-58-7), with molecular formula C21H17BrN4O3 and molecular weight 452.05 g/mol. IUPAC: 1-benzyl-8-bromo-3-methyl-7-phenacylpurine-2,6-dione.
Chemical Property Profile of AB01278840-01
Property Insights of AB01278840-01
The XLogP value of 2.5904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01278840-01. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01278840-01. Following Lipinski's Rule of Five, AB01278840-01 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 AB01278840-01?
The CAS number of AB01278840-01 is 370076-58-7.
What is the molecular formula of AB01278840-01?
The molecular formula of AB01278840-01 is C21H17BrN4O3.
What is the molecular weight of AB01278840-01?
The molecular weight of AB01278840-01 is 452.05 g/mol.
Where can I buy AB01278840-01?
You can request a quote for AB01278840-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01278840-01?
Yes, KEHONG BIO provides custom synthesis services for AB01278840-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.