BAS 00512111
TL;DR: BAS 00512111 (CAS 326918-84-7) is a chemical compound with molecular formula C26H44N4O4S and molecular weight 508.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00512111, ethyl [(7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, ethyl 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate, (7-HEXADECYL-3-ME-2,6-DIOXO-2,3,67-4H-1H-PURIN-8-YLSULFANYL)ACETIC ACID ET ESTER, ethyl 2-((7-hexadecyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
| Molecular Formula | C26H44N4O4S |
|---|---|
| Molecular Weight | 508.31 g/mol |
| LogP | 5.5598 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 508.30832 |
| Heavy Atoms | 35 |
| Complexity | 1011.171 |
Chemical Identifiers
| CAS Number | 326918-84-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
BAS 00512111 (CAS 326918-84-7), with molecular formula C26H44N4O4S and molecular weight 508.31 g/mol. IUPAC: ethyl 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of BAS 00512111
Property Insights of BAS 00512111
The XLogP value of 5.5598 indicates that BAS 00512111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00512111. Following Lipinski's Rule of Five, BAS 00512111 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00512111?
The CAS number of BAS 00512111 is 326918-84-7.
What is the molecular formula of BAS 00512111?
The molecular formula of BAS 00512111 is C26H44N4O4S.
What is the molecular weight of BAS 00512111?
The molecular weight of BAS 00512111 is 508.31 g/mol.
Where can I buy BAS 00512111?
You can request a quote for BAS 00512111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00512111?
Yes, KEHONG BIO provides custom synthesis services for BAS 00512111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.