BAS 00964826
TL;DR: BAS 00964826 (CAS 305866-72-2) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
Also Known As: BAS 00964826, (E)-2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, AB01278562-01, F0381-3347, 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 1.7302 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 1111.7129 |
Chemical Identifiers
| CAS Number | 305866-72-2 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00964826 (CAS 305866-72-2), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 00964826
Property Insights of BAS 00964826
The XLogP value of 1.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964826. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964826. Following Lipinski's Rule of Five, BAS 00964826 has 2 hydrogen bond donor(s) and 5 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 00964826?
The CAS number of BAS 00964826 is 305866-72-2.
What is the molecular formula of BAS 00964826?
The molecular formula of BAS 00964826 is C18H19N5O3S.
What is the molecular weight of BAS 00964826?
The molecular weight of BAS 00964826 is 385.12 g/mol.
Where can I buy BAS 00964826?
You can request a quote for BAS 00964826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964826?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.