BAS 00411685
TL;DR: BAS 00411685 (CAS 331444-41-8) is a chemical compound with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 00411685, AB01286528-01, 8-(2-hydroxyethylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione, 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-allyl-8-((2-hydroxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C11H14N4O3S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | -0.3063 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.07867 |
| Heavy Atoms | 19 |
| Complexity | 727.8411 |
Chemical Identifiers
| CAS Number | 331444-41-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCO)CC=C |
Product Overview
BAS 00411685 (CAS 331444-41-8), with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of BAS 00411685
Property Insights of BAS 00411685
The XLogP value of -0.3063 indicates that BAS 00411685 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411685. Following Lipinski's Rule of Five, BAS 00411685 has 2 hydrogen bond donor(s) and 5 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 00411685?
The CAS number of BAS 00411685 is 331444-41-8.
What is the molecular formula of BAS 00411685?
The molecular formula of BAS 00411685 is C11H14N4O3S.
What is the molecular weight of BAS 00411685?
The molecular weight of BAS 00411685 is 282.08 g/mol.
Where can I buy BAS 00411685?
You can request a quote for BAS 00411685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411685?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.