BAS 05968890
TL;DR: BAS 05968890 (CAS 714227-97-1) is a chemical compound with molecular formula C19H23N5O3 and molecular weight 369.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 05968890, AB00441313-04, 8-(benzyl(2-hydroxyethyl)amino)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, F1342-0040, 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
| Molecular Formula | C19H23N5O3 |
|---|---|
| Molecular Weight | 369.18 g/mol |
| LogP | 0.9983 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.18008 |
| Heavy Atoms | 27 |
| Complexity | 1078.4036 |
Chemical Identifiers
| CAS Number | 714227-97-1 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 05968890 (CAS 714227-97-1), with molecular formula C19H23N5O3 and molecular weight 369.18 g/mol. IUPAC: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of BAS 05968890
Property Insights of BAS 05968890
The XLogP value of 0.9983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968890. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968890. Following Lipinski's Rule of Five, BAS 05968890 has 2 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 05968890?
The CAS number of BAS 05968890 is 714227-97-1.
What is the molecular formula of BAS 05968890?
The molecular formula of BAS 05968890 is C19H23N5O3.
What is the molecular weight of BAS 05968890?
The molecular weight of BAS 05968890 is 369.18 g/mol.
Where can I buy BAS 05968890?
You can request a quote for BAS 05968890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968890?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.