BAS 01108693
TL;DR: BAS 01108693 (CAS 332098-86-9) 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-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 01108693, UPCMLD0ENAT5730399:001, AB00684274-01, ethyl 2-((3-methyl-7-(2-methylallyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, ethyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 332098-86-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C |
| InChIKey | RPIJRLGWAQJHPS-UHFFFAOYSA-N |
Product Overview
BAS 01108693 (CAS 332098-86-9), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: ethyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 01108693
Property Insights of BAS 01108693
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108693. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108693. Following Lipinski's Rule of Five, BAS 01108693 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 01108693?
The CAS number of BAS 01108693 is 332098-86-9.
What is the molecular formula of BAS 01108693?
The molecular formula of BAS 01108693 is C14H18N4O4S.
What is the molecular weight of BAS 01108693?
The molecular weight of BAS 01108693 is 338.10 g/mol.
Where can I buy BAS 01108693?
You can request a quote for BAS 01108693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108693?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.