BAS 13030071
TL;DR: BAS 13030071 (CAS 878732-80-0) is a chemical compound with molecular formula C25H32N6O2 and molecular weight 448.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030071, AB00682990-01, F3124-0500, 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(2,5-dimethylphenyl)-1,6,7-trimethyl-3-(2-(piperidin-1-yl)ethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C25H32N6O2 |
|---|---|
| Molecular Weight | 448.26 g/mol |
| LogP | 2.85818 |
| Topological Polar Surface Area | 69.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.25867 |
| Heavy Atoms | 33 |
| Complexity | 1493.8712 |
Chemical Identifiers
| CAS Number | 878732-80-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCN5CCCCC5)C)C |
Product Overview
BAS 13030071 (CAS 878732-80-0), with molecular formula C25H32N6O2 and molecular weight 448.26 g/mol. IUPAC: 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030071
Property Insights of BAS 13030071
The XLogP value of 2.85818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030071. The TPSA of 69.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030071. Following Lipinski's Rule of Five, BAS 13030071 has 0 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 13030071?
The CAS number of BAS 13030071 is 878732-80-0.
What is the molecular formula of BAS 13030071?
The molecular formula of BAS 13030071 is C25H32N6O2.
What is the molecular weight of BAS 13030071?
The molecular weight of BAS 13030071 is 448.26 g/mol.
Where can I buy BAS 13030071?
You can request a quote for BAS 13030071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030071?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.