BAS 08333514
TL;DR: BAS 08333514 (CAS 714232-10-7) is a chemical compound with molecular formula C19H25N7O2S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 08333514, UPCMLD0ENAT5730394:001, 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione, 3-methyl-7-(2-methyl-3-(pyrimidin-2-ylthio)propyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-methyl-3-pyrimidin-2-ylthiopropyl)-8-piperidyl-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C19H25N7O2S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 1.632 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.17905 |
| Heavy Atoms | 29 |
| Complexity | 1099.4285 |
Chemical Identifiers
| CAS Number | 714232-10-7 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4 |
Product Overview
BAS 08333514 (CAS 714232-10-7), with molecular formula C19H25N7O2S and molecular weight 415.18 g/mol. IUPAC: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 08333514
Property Insights of BAS 08333514
The XLogP value of 1.632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08333514. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08333514. Following Lipinski's Rule of Five, BAS 08333514 has 1 hydrogen bond donor(s) and 7 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 08333514?
The CAS number of BAS 08333514 is 714232-10-7.
What is the molecular formula of BAS 08333514?
The molecular formula of BAS 08333514 is C19H25N7O2S.
What is the molecular weight of BAS 08333514?
The molecular weight of BAS 08333514 is 415.18 g/mol.
Where can I buy BAS 08333514?
You can request a quote for BAS 08333514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333514?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.