BAS 00288269
TL;DR: BAS 00288269 (CAS 330818-25-2) is a chemical compound with molecular formula C11H13BrN4O4 and molecular weight 344.01 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-dioxopurin-7-yl)ethyl propanoate
Also Known As: BAS 00288269, 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl propanoate, Propionic acid 2-(8-bromo-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester, 2-(8-bromo-3-methyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)ethyl propanoate, 2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)ethyl propionate
| Molecular Formula | C11H13BrN4O4 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.01202 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 330818-25-2 |
|---|---|
| SMILES | CCC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | DTBUTYDXVKWDJW-UHFFFAOYSA-N |
Product Overview
BAS 00288269 (CAS 330818-25-2), with molecular formula C11H13BrN4O4 and molecular weight 344.01 g/mol. IUPAC: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl propanoate.
Chemical Property Profile of BAS 00288269
Property Insights of BAS 00288269
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288269. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288269. Following Lipinski's Rule of Five, BAS 00288269 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 BAS 00288269?
The CAS number of BAS 00288269 is 330818-25-2.
What is the molecular formula of BAS 00288269?
The molecular formula of BAS 00288269 is C11H13BrN4O4.
What is the molecular weight of BAS 00288269?
The molecular weight of BAS 00288269 is 344.01 g/mol.
Where can I buy BAS 00288269?
You can request a quote for BAS 00288269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288269?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.