BAS 00964819
TL;DR: BAS 00964819 (CAS 306732-99-0) is a chemical compound with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00964819, (E)-ethyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, AB01281111-01, ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate, F0372-0586
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 0.6546 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 862.01 |
Chemical Identifiers
| CAS Number | 306732-99-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C |
Product Overview
BAS 00964819 (CAS 306732-99-0), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00964819
Property Insights of BAS 00964819
The XLogP value of 0.6546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964819. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964819. Following Lipinski's Rule of Five, BAS 00964819 has 1 hydrogen bond donor(s) and 6 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 00964819?
The CAS number of BAS 00964819 is 306732-99-0.
What is the molecular formula of BAS 00964819?
The molecular formula of BAS 00964819 is C14H18N4O4S.
What is the molecular weight of BAS 00964819?
The molecular weight of BAS 00964819 is 338.10 g/mol.
Where can I buy BAS 00964819?
You can request a quote for BAS 00964819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964819?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.