BAS 00964834
TL;DR: BAS 00964834 (CAS 876708-44-0) is a chemical compound with molecular formula C16H23N5O2 and molecular weight 317.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
Also Known As: BAS 00964834, (E)-7-(but-2-en-1-yl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0372-0598, 7-[(E)-but-2-enyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione, 7-((2E)but-2-enyl)-3-methyl-8-(4-methylpiperidyl)-1,3,7-trihydropurine-2,6-dio ne
| Molecular Formula | C16H23N5O2 |
|---|---|
| Molecular Weight | 317.19 g/mol |
| LogP | 1.2357 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.18518 |
| Heavy Atoms | 23 |
| Complexity | 849.70337 |
Chemical Identifiers
| CAS Number | 876708-44-0 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1N3CCC(CC3)C)N(C(=O)NC2=O)C |
Product Overview
BAS 00964834 (CAS 876708-44-0), with molecular formula C16H23N5O2 and molecular weight 317.19 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 00964834
Property Insights of BAS 00964834
The XLogP value of 1.2357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964834. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964834. Following Lipinski's Rule of Five, BAS 00964834 has 1 hydrogen bond donor(s) and 4 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 00964834?
The CAS number of BAS 00964834 is 876708-44-0.
What is the molecular formula of BAS 00964834?
The molecular formula of BAS 00964834 is C16H23N5O2.
What is the molecular weight of BAS 00964834?
The molecular weight of BAS 00964834 is 317.19 g/mol.
Where can I buy BAS 00964834?
You can request a quote for BAS 00964834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964834?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.