BAS 00458097
TL;DR: BAS 00458097 (CAS 331675-50-4) is a chemical compound with molecular formula C19H24N4O4S and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 00458097, 7-(2-hydroxy-3-phenoxypropyl)-8-(isobutylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00684223-01, F0373-0672, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
| Molecular Formula | C19H24N4O4S |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 1.6113 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.15182 |
| Heavy Atoms | 28 |
| Complexity | 1055.4663 |
Chemical Identifiers
| CAS Number | 331675-50-4 |
|---|---|
| SMILES | CC(C)CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00458097 (CAS 331675-50-4), with molecular formula C19H24N4O4S and molecular weight 404.15 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00458097
Property Insights of BAS 00458097
The XLogP value of 1.6113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00458097. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458097. Following Lipinski's Rule of Five, BAS 00458097 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 00458097?
The CAS number of BAS 00458097 is 331675-50-4.
What is the molecular formula of BAS 00458097?
The molecular formula of BAS 00458097 is C19H24N4O4S.
What is the molecular weight of BAS 00458097?
The molecular weight of BAS 00458097 is 404.15 g/mol.
Where can I buy BAS 00458097?
You can request a quote for BAS 00458097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458097?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.