BAS 00964799
TL;DR: BAS 00964799 (CAS 296244-44-5) is a chemical compound with molecular formula C22H36N4O2S and molecular weight 420.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00964799, UPCMLD0ENAT5831684:001, A2183/0091762, 7-[(E)-but-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione, 7-But-2-enyl-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C22H36N4O2S |
|---|---|
| Molecular Weight | 420.26 g/mol |
| LogP | 5.0124 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 420.2559 |
| Heavy Atoms | 29 |
| Complexity | 894.57495 |
Chemical Identifiers
| CAS Number | 296244-44-5 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C |
Product Overview
BAS 00964799 (CAS 296244-44-5), with molecular formula C22H36N4O2S and molecular weight 420.26 g/mol. IUPAC: 7-[(E)-but-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964799
Property Insights of BAS 00964799
The XLogP value of 5.0124 indicates that BAS 00964799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964799. Following Lipinski's Rule of Five, BAS 00964799 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00964799?
The CAS number of BAS 00964799 is 296244-44-5.
What is the molecular formula of BAS 00964799?
The molecular formula of BAS 00964799 is C22H36N4O2S.
What is the molecular weight of BAS 00964799?
The molecular weight of BAS 00964799 is 420.26 g/mol.
Where can I buy BAS 00964799?
You can request a quote for BAS 00964799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964799?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.