BAS 00843990
TL;DR: BAS 00843990 (CAS 303970-82-3) is a chemical compound with molecular formula C23H32N4O4S and molecular weight 460.21 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-octylsulfanylpurine-2,6-dione
Also Known As: BAS 00843990, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-octylsulfanylpurine-2,6-dione, 7-(2-Hydroxy-3-phenoxy-propyl)-3-methyl-8-octylsulfanyl-3,7-dihydropurine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C23H32N4O4S |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 3.3158 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.21442 |
| Heavy Atoms | 32 |
| Complexity | 1106.8673 |
Chemical Identifiers
| CAS Number | 303970-82-3 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00843990 (CAS 303970-82-3), with molecular formula C23H32N4O4S and molecular weight 460.21 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-octylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00843990
Property Insights of BAS 00843990
The XLogP value of 3.3158 indicates that BAS 00843990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00843990. Following Lipinski's Rule of Five, BAS 00843990 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 00843990?
The CAS number of BAS 00843990 is 303970-82-3.
What is the molecular formula of BAS 00843990?
The molecular formula of BAS 00843990 is C23H32N4O4S.
What is the molecular weight of BAS 00843990?
The molecular weight of BAS 00843990 is 460.21 g/mol.
Where can I buy BAS 00843990?
You can request a quote for BAS 00843990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00843990?
Yes, KEHONG BIO provides custom synthesis services for BAS 00843990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.