BAS 00162600
TL;DR: BAS 00162600 (CAS 101072-34-8) is a chemical compound with molecular formula C10H11BrN4O4 and molecular weight 330.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate
Also Known As: BAS 00162600, ethyl 2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, Ethyl (3-methyl-8-bromxanthinyl-7)acetate, ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate, ethyl 2-(8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
| Molecular Formula | C10H11BrN4O4 |
|---|---|
| Molecular Weight | 330.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.99637 |
| Heavy Atoms | 19 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 101072-34-8 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | TZCPVUHTOJEPDP-UHFFFAOYSA-N |
Product Overview
BAS 00162600 (CAS 101072-34-8), with molecular formula C10H11BrN4O4 and molecular weight 330.00 g/mol. IUPAC: ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate.
Chemical Property Profile of BAS 00162600
Property Insights of BAS 00162600
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00162600. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00162600. Following Lipinski's Rule of Five, BAS 00162600 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 00162600?
The CAS number of BAS 00162600 is 101072-34-8.
What is the molecular formula of BAS 00162600?
The molecular formula of BAS 00162600 is C10H11BrN4O4.
What is the molecular weight of BAS 00162600?
The molecular weight of BAS 00162600 is 330.00 g/mol.
Where can I buy BAS 00162600?
You can request a quote for BAS 00162600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00162600?
Yes, KEHONG BIO provides custom synthesis services for BAS 00162600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.