BAS 12663822
TL;DR: BAS 12663822 (CAS 878722-02-2) is a chemical compound with molecular formula C20H20FN5O3 and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663822, AB00679873-01, AB00679873-02, F2583-0992, 6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H20FN5O3 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 1.80814 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.15503 |
| Heavy Atoms | 29 |
| Complexity | 1403.1609 |
Chemical Identifiers
| CAS Number | 878722-02-2 |
|---|---|
| SMILES | CCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=C(C=C4)F)C)C |
Product Overview
BAS 12663822 (CAS 878722-02-2), with molecular formula C20H20FN5O3 and molecular weight 397.16 g/mol. IUPAC: 6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12663822
Property Insights of BAS 12663822
The XLogP value of 1.80814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663822. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663822. Following Lipinski's Rule of Five, BAS 12663822 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 12663822?
The CAS number of BAS 12663822 is 878722-02-2.
What is the molecular formula of BAS 12663822?
The molecular formula of BAS 12663822 is C20H20FN5O3.
What is the molecular weight of BAS 12663822?
The molecular weight of BAS 12663822 is 397.16 g/mol.
Where can I buy BAS 12663822?
You can request a quote for BAS 12663822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663822?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.