BAS 00286879
TL;DR: BAS 00286879 (CAS 105522-63-2) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid
Also Known As: BAS 00286879, 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid, 2-((7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetic acid, 2-[3-methyl-2,6-dioxo-7-benzyl-1,3,7-trihydropurin-8-ylthio]acetic acid, (7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid
| Molecular Formula | C15H14N4O4S |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.07358 |
| Heavy Atoms | 24 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 105522-63-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3 |
| InChIKey | MHJUMJCNYDJSNW-UHFFFAOYSA-N |
Product Overview
BAS 00286879 (CAS 105522-63-2), with molecular formula C15H14N4O4S and molecular weight 346.07 g/mol. IUPAC: 2-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid.
Chemical Property Profile of BAS 00286879
Property Insights of BAS 00286879
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00286879. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00286879. Following Lipinski's Rule of Five, BAS 00286879 has 2 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 00286879?
The CAS number of BAS 00286879 is 105522-63-2.
What is the molecular formula of BAS 00286879?
The molecular formula of BAS 00286879 is C15H14N4O4S.
What is the molecular weight of BAS 00286879?
The molecular weight of BAS 00286879 is 346.07 g/mol.
Where can I buy BAS 00286879?
You can request a quote for BAS 00286879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00286879?
Yes, KEHONG BIO provides custom synthesis services for BAS 00286879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.