BAS 00340046
TL;DR: BAS 00340046 (CAS 96902-22-6) is a chemical compound with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanenitrile
Also Known As: BAS 00340046, AB00091600-01, 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanenitrile, 3-(3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)propanenitrile, F0017-0914
| Molecular Formula | C14H18N6O2 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 0.32728 |
| Topological Polar Surface Area | 99.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1491 |
| Heavy Atoms | 22 |
| Complexity | 847.056 |
Chemical Identifiers
| CAS Number | 96902-22-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC#N |
Product Overview
BAS 00340046 (CAS 96902-22-6), with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol. IUPAC: 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanenitrile.
Chemical Property Profile of BAS 00340046
Property Insights of BAS 00340046
The XLogP value of 0.32728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340046. The TPSA of 99.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00340046. Following Lipinski's Rule of Five, BAS 00340046 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 00340046?
The CAS number of BAS 00340046 is 96902-22-6.
What is the molecular formula of BAS 00340046?
The molecular formula of BAS 00340046 is C14H18N6O2.
What is the molecular weight of BAS 00340046?
The molecular weight of BAS 00340046 is 302.15 g/mol.
Where can I buy BAS 00340046?
You can request a quote for BAS 00340046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340046?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.