BAS 00288328
TL;DR: BAS 00288328 (CAS 313530-84-6) is a chemical compound with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00288328, AB01309540-01, ethyl {[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate, ethyl [(7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, ethyl 2-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C15H22N4O4S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.1246 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.13617 |
| Heavy Atoms | 24 |
| Complexity | 849.5017 |
Chemical Identifiers
| CAS Number | 313530-84-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C |
Product Overview
BAS 00288328 (CAS 313530-84-6), with molecular formula C15H22N4O4S and molecular weight 354.14 g/mol. IUPAC: ethyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00288328
Property Insights of BAS 00288328
The XLogP value of 1.1246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288328. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288328. Following Lipinski's Rule of Five, BAS 00288328 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 00288328?
The CAS number of BAS 00288328 is 313530-84-6.
What is the molecular formula of BAS 00288328?
The molecular formula of BAS 00288328 is C15H22N4O4S.
What is the molecular weight of BAS 00288328?
The molecular weight of BAS 00288328 is 354.14 g/mol.
Where can I buy BAS 00288328?
You can request a quote for BAS 00288328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288328?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.