BAS 00964823
TL;DR: BAS 00964823 (CAS 313470-44-9) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: BAS 00964823, (E)-benzyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, AB01295581-01, F0381-3344, benzyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.8349 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1128.5265 |
Chemical Identifiers
| CAS Number | 313470-44-9 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00964823 (CAS 313470-44-9), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: benzyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of BAS 00964823
Property Insights of BAS 00964823
The XLogP value of 1.8349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964823. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964823. Following Lipinski's Rule of Five, BAS 00964823 has 1 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 00964823?
The CAS number of BAS 00964823 is 313470-44-9.
What is the molecular formula of BAS 00964823?
The molecular formula of BAS 00964823 is C19H20N4O4S.
What is the molecular weight of BAS 00964823?
The molecular weight of BAS 00964823 is 400.12 g/mol.
Where can I buy BAS 00964823?
You can request a quote for BAS 00964823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964823?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.