BAS 04914708
TL;DR: BAS 04914708 (CAS 442864-87-1) is a chemical compound with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenylpropyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04914708, 3-Methyl-7-(3-phenyl-propyl)-8-(2-piperidin-1-yl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione, 3-methyl-7-(3-phenylpropyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(3-phenylpropyl)-8-(2-piperidinoethylthio)xanthine, 3-methyl-7-(3-phenylpropyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
| Molecular Formula | C22H29N5O2S |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.2042 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 442864-87-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCCCC3)CCCC4=CC=CC=C4 |
| InChIKey | FKZHXROWVQMDAU-UHFFFAOYSA-N |
Product Overview
BAS 04914708 (CAS 442864-87-1), with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol. IUPAC: 3-methyl-7-(3-phenylpropyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 04914708
Property Insights of BAS 04914708
The XLogP value of 3.4 indicates that BAS 04914708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914708. Following Lipinski's Rule of Five, BAS 04914708 has 1 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 04914708?
The CAS number of BAS 04914708 is 442864-87-1.
What is the molecular formula of BAS 04914708?
The molecular formula of BAS 04914708 is C22H29N5O2S.
What is the molecular weight of BAS 04914708?
The molecular weight of BAS 04914708 is 427.20 g/mol.
Where can I buy BAS 04914708?
You can request a quote for BAS 04914708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914708?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.