BAS 00288311
TL;DR: BAS 00288311 (CAS 313530-93-7) is a chemical compound with molecular formula C13H18BrN5O3 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide
Also Known As: BAS 00288311, 2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide, 2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide, 2-(8-Bromo-3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-purin-1-yl)-acetamide, 2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-1,3,7-trihydropurinyl)acetamide
| Molecular Formula | C13H18BrN5O3 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.0593 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 313530-93-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)N)C |
| InChIKey | DFJIMWWUAWYPMP-UHFFFAOYSA-N |
Product Overview
BAS 00288311 (CAS 313530-93-7), with molecular formula C13H18BrN5O3 and molecular weight 371.06 g/mol. IUPAC: 2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide.
Chemical Property Profile of BAS 00288311
Property Insights of BAS 00288311
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288311. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288311. Following Lipinski's Rule of Five, BAS 00288311 has 1 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 BAS 00288311?
The CAS number of BAS 00288311 is 313530-93-7.
What is the molecular formula of BAS 00288311?
The molecular formula of BAS 00288311 is C13H18BrN5O3.
What is the molecular weight of BAS 00288311?
The molecular weight of BAS 00288311 is 371.06 g/mol.
Where can I buy BAS 00288311?
You can request a quote for BAS 00288311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288311?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.