RefChem:311800
TL;DR: RefChem:311800 (CAS 19977-29-8) is a chemical compound with molecular formula C15H13BrN4O3 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione
Also Known As: TimTec1_005509, 8-bromo-7-phenacyltheophylline, 8-bromo-1,3-dimethyl-7-phenacyl-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione, 8-bromo-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H13BrN4O3 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0171 |
| Heavy Atoms | 23 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 19977-29-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CC=C3 |
| InChIKey | MKJGMEXOOHWBCF-UHFFFAOYSA-N |
Product Overview
RefChem:311800 (CAS 19977-29-8), with molecular formula C15H13BrN4O3 and molecular weight 376.02 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione.
Chemical Property Profile of RefChem:311800
Property Insights of RefChem:311800
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311800. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311800. Following Lipinski's Rule of Five, RefChem:311800 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 RefChem:311800?
The CAS number of RefChem:311800 is 19977-29-8.
What is the molecular formula of RefChem:311800?
The molecular formula of RefChem:311800 is C15H13BrN4O3.
What is the molecular weight of RefChem:311800?
The molecular weight of RefChem:311800 is 376.02 g/mol.
Where can I buy RefChem:311800?
You can request a quote for RefChem:311800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311800?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.