BAS 12663079
TL;DR: BAS 12663079 (CAS 876673-32-4) is a chemical compound with molecular formula C21H24ClN5O4 and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methoxyphenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12663079, 6-(3-chloro-4-methoxyphenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methoxyphenyl)-3-(2-ethoxyethyl)-1,6,7-trimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 8-(3-chloro-4-methoxyphenyl)-3-(2-ethoxyethyl)-1,6,7-trimethyl-1,3,5-trihydro- 4-imidazolino[1,2-h]purine-2,4-dione, 8-(3-Chloro-4-methoxyphenyl)-3-(2-ethoxyethyl)-1,6,7-trimethyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H24ClN5O4 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 2.45394 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.15167 |
| Heavy Atoms | 31 |
| Complexity | 1426.3094 |
Chemical Identifiers
| CAS Number | 876673-32-4 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=C(C=C4)OC)Cl)C)C)N(C1=O)C |
Product Overview
BAS 12663079 (CAS 876673-32-4), with molecular formula C21H24ClN5O4 and molecular weight 445.15 g/mol. IUPAC: 6-(3-chloro-4-methoxyphenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12663079
Property Insights of BAS 12663079
The XLogP value of 2.45394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12663079. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12663079. Following Lipinski's Rule of Five, BAS 12663079 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 12663079?
The CAS number of BAS 12663079 is 876673-32-4.
What is the molecular formula of BAS 12663079?
The molecular formula of BAS 12663079 is C21H24ClN5O4.
What is the molecular weight of BAS 12663079?
The molecular weight of BAS 12663079 is 445.15 g/mol.
Where can I buy BAS 12663079?
You can request a quote for BAS 12663079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12663079?
Yes, KEHONG BIO provides custom synthesis services for BAS 12663079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.