BAS 03301939
TL;DR: BAS 03301939 (CAS 377065-73-1) is a chemical compound with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 03301939, AB00417743-04, AB00417743-10, [3-Methyl-7-(3-methyl-butyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid methyl ester, F1167-0057
| Molecular Formula | C14H20N4O4S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.1205 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 377065-73-1 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
| InChIKey | YPKJANNLVWMJTF-UHFFFAOYSA-N |
Product Overview
BAS 03301939 (CAS 377065-73-1), with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol. IUPAC: methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 03301939
Property Insights of BAS 03301939
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03301939. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03301939. Following Lipinski's Rule of Five, BAS 03301939 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 03301939?
The CAS number of BAS 03301939 is 377065-73-1.
What is the molecular formula of BAS 03301939?
The molecular formula of BAS 03301939 is C14H20N4O4S.
What is the molecular weight of BAS 03301939?
The molecular weight of BAS 03301939 is 340.12 g/mol.
Where can I buy BAS 03301939?
You can request a quote for BAS 03301939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03301939?
Yes, KEHONG BIO provides custom synthesis services for BAS 03301939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.