BAS 00458084
TL;DR: BAS 00458084 (CAS 328069-92-7) is a chemical compound with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00458084, 8-(sec-butylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-butan-2-ylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(methylpropylthio)-1,3,7-tri hydropurine-2,6-dione, 8-(butan-2-ylsulfanyl)-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H28N4O4S |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 2.3162 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.18314 |
| Heavy Atoms | 30 |
| Complexity | 1116.9673 |
Chemical Identifiers
| CAS Number | 328069-92-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SC(C)CC)N(C(=O)NC3=O)C)O |
Product Overview
BAS 00458084 (CAS 328069-92-7), with molecular formula C21H28N4O4S and molecular weight 432.18 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00458084
Property Insights of BAS 00458084
The XLogP value of 2.3162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458084. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458084. Following Lipinski's Rule of Five, BAS 00458084 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 00458084?
The CAS number of BAS 00458084 is 328069-92-7.
What is the molecular formula of BAS 00458084?
The molecular formula of BAS 00458084 is C21H28N4O4S.
What is the molecular weight of BAS 00458084?
The molecular weight of BAS 00458084 is 432.18 g/mol.
Where can I buy BAS 00458084?
You can request a quote for BAS 00458084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458084?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.