BAS 13029845
TL;DR: BAS 13029845 (CAS 878729-74-9) is a chemical compound with molecular formula C22H25FN6O2 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-fluorophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029845, VU0509562-1, F3124-0275, 6-(2-fluorophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(2-fluorophenyl)-1,7-dimethyl-3-(2-(piperidin-1-yl)ethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C22H25FN6O2 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 2.07202 |
| Topological Polar Surface Area | 69.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2023 |
| Heavy Atoms | 31 |
| Complexity | 1403.6418 |
Chemical Identifiers
| CAS Number | 878729-74-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4F)N(C(=O)N(C3=O)CCN5CCCCC5)C |
Product Overview
BAS 13029845 (CAS 878729-74-9), with molecular formula C22H25FN6O2 and molecular weight 424.20 g/mol. IUPAC: 6-(2-fluorophenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029845
Property Insights of BAS 13029845
The XLogP value of 2.07202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029845. The TPSA of 69.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029845. Following Lipinski's Rule of Five, BAS 13029845 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 13029845?
The CAS number of BAS 13029845 is 878729-74-9.
What is the molecular formula of BAS 13029845?
The molecular formula of BAS 13029845 is C22H25FN6O2.
What is the molecular weight of BAS 13029845?
The molecular weight of BAS 13029845 is 424.20 g/mol.
Where can I buy BAS 13029845?
You can request a quote for BAS 13029845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029845?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.