BAS 04914744
TL;DR: BAS 04914744 (CAS 442865-08-9) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04914744, UPCMLD0ENAT5829924:001, 3-methyl-7-(3-methylbenzyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00429629-05, AB00429629-12
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 2.35802 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 1124.2823 |
Chemical Identifiers
| CAS Number | 442865-08-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C |
Product Overview
BAS 04914744 (CAS 442865-08-9), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 04914744
Property Insights of BAS 04914744
The XLogP value of 2.35802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914744. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914744. Following Lipinski's Rule of Five, BAS 04914744 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 04914744?
The CAS number of BAS 04914744 is 442865-08-9.
What is the molecular formula of BAS 04914744?
The molecular formula of BAS 04914744 is C21H27N5O2S.
What is the molecular weight of BAS 04914744?
The molecular weight of BAS 04914744 is 413.19 g/mol.
Where can I buy BAS 04914744?
You can request a quote for BAS 04914744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914744?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.