BAS 00843988
TL;DR: BAS 00843988 (CAS 303970-62-9) is a chemical compound with molecular formula C21H26N4O6S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
Also Known As: BAS 00843988, ethyl 2-{[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanoate, ethyl 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate, ethyl 2-((7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)butanoate, ethyl 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-1,3,7-trihydropurin- 8-ylthio]butanoate
| Molecular Formula | C21H26N4O6S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 1.297 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.15732 |
| Heavy Atoms | 32 |
| Complexity | 1186.7034 |
Chemical Identifiers
| CAS Number | 303970-62-9 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00843988 (CAS 303970-62-9), with molecular formula C21H26N4O6S and molecular weight 462.16 g/mol. IUPAC: ethyl 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate.
Chemical Property Profile of BAS 00843988
Property Insights of BAS 00843988
The XLogP value of 1.297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00843988. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00843988. Following Lipinski's Rule of Five, BAS 00843988 has 2 hydrogen bond donor(s) and 8 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 00843988?
The CAS number of BAS 00843988 is 303970-62-9.
What is the molecular formula of BAS 00843988?
The molecular formula of BAS 00843988 is C21H26N4O6S.
What is the molecular weight of BAS 00843988?
The molecular weight of BAS 00843988 is 462.16 g/mol.
Where can I buy BAS 00843988?
You can request a quote for BAS 00843988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00843988?
Yes, KEHONG BIO provides custom synthesis services for BAS 00843988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.