BAS 12663706
TL;DR: BAS 12663706 (CAS 878414-49-4) is a chemical compound with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]-6-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663706, F2583-0944, 2-[2-(4-chlorophenyl)-2-oxoethyl]-6-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 3-(2-(4-chlorophenyl)-2-oxoethyl)-8-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-(2-methoxyethyl)-1,7-dimethyl-1,3,5-trihyd ro-4-imidazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C20H20ClN5O4 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 1.64052 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1204 |
| Heavy Atoms | 30 |
| Complexity | 1391.5875 |
Chemical Identifiers
| CAS Number | 878414-49-4 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CCOC)N(C(=O)N(C3=O)CC(=O)C4=CC=C(C=C4)Cl)C |
Product Overview
BAS 12663706 (CAS 878414-49-4), with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]-6-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12663706
Property Insights of BAS 12663706
The XLogP value of 1.64052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663706. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663706. Following Lipinski's Rule of Five, BAS 12663706 has 0 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 12663706?
The CAS number of BAS 12663706 is 878414-49-4.
What is the molecular formula of BAS 12663706?
The molecular formula of BAS 12663706 is C20H20ClN5O4.
What is the molecular weight of BAS 12663706?
The molecular weight of BAS 12663706 is 429.12 g/mol.
Where can I buy BAS 12663706?
You can request a quote for BAS 12663706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663706?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.