BAS 08333481
TL;DR: BAS 08333481 (CAS 685860-41-7) is a chemical compound with molecular formula C17H21N7O2S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-piperidin-1-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: BAS 08333481, 3-methyl-8-(piperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00429640-04, AB01291486-01, F0570-0021
| Molecular Formula | C17H21N7O2S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 0.9959 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.14774 |
| Heavy Atoms | 27 |
| Complexity | 1050.8146 |
Chemical Identifiers
| CAS Number | 685860-41-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC=CC=N4 |
Product Overview
BAS 08333481 (CAS 685860-41-7), with molecular formula C17H21N7O2S and molecular weight 387.15 g/mol. IUPAC: 3-methyl-8-piperidin-1-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 08333481
Property Insights of BAS 08333481
The XLogP value of 0.9959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08333481. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08333481. Following Lipinski's Rule of Five, BAS 08333481 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 08333481?
The CAS number of BAS 08333481 is 685860-41-7.
What is the molecular formula of BAS 08333481?
The molecular formula of BAS 08333481 is C17H21N7O2S.
What is the molecular weight of BAS 08333481?
The molecular weight of BAS 08333481 is 387.15 g/mol.
Where can I buy BAS 08333481?
You can request a quote for BAS 08333481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333481?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.