BAS 12662661
TL;DR: BAS 12662661 (CAS 878718-67-3) is a chemical compound with molecular formula C21H23ClN6O3 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662661, AB00679861-01, F2583-0263, 6-(2-chlorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(2-chlorophenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C21H23ClN6O3 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 1.43262 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.152 |
| Heavy Atoms | 31 |
| Complexity | 1406.7557 |
Chemical Identifiers
| CAS Number | 878718-67-3 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4Cl)N(C(=O)N(C3=O)CCN5CCOCC5)C |
Product Overview
BAS 12662661 (CAS 878718-67-3), with molecular formula C21H23ClN6O3 and molecular weight 442.15 g/mol. IUPAC: 6-(2-chlorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662661
Property Insights of BAS 12662661
The XLogP value of 1.43262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662661. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662661. Following Lipinski's Rule of Five, BAS 12662661 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 12662661?
The CAS number of BAS 12662661 is 878718-67-3.
What is the molecular formula of BAS 12662661?
The molecular formula of BAS 12662661 is C21H23ClN6O3.
What is the molecular weight of BAS 12662661?
The molecular weight of BAS 12662661 is 442.15 g/mol.
Where can I buy BAS 12662661?
You can request a quote for BAS 12662661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662661?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.