BAS 00341112
TL;DR: BAS 00341112 (CAS 313552-37-3) is a chemical compound with molecular formula C18H28N4O4S and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: BAS 00341112, ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate, ethyl [(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate, ethyl 2-((3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, ethyl 2-[(3-methyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C18H28N4O4S |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 2.439 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.18314 |
| Heavy Atoms | 27 |
| Complexity | 883.8396 |
Chemical Identifiers
| CAS Number | 313552-37-3 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C |
Product Overview
BAS 00341112 (CAS 313552-37-3), with molecular formula C18H28N4O4S and molecular weight 396.18 g/mol. IUPAC: ethyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of BAS 00341112
Property Insights of BAS 00341112
The XLogP value of 2.439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00341112. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00341112. Following Lipinski's Rule of Five, BAS 00341112 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 00341112?
The CAS number of BAS 00341112 is 313552-37-3.
What is the molecular formula of BAS 00341112?
The molecular formula of BAS 00341112 is C18H28N4O4S.
What is the molecular weight of BAS 00341112?
The molecular weight of BAS 00341112 is 396.18 g/mol.
Where can I buy BAS 00341112?
You can request a quote for BAS 00341112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00341112?
Yes, KEHONG BIO provides custom synthesis services for BAS 00341112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.