BAS 12662791
TL;DR: BAS 12662791 (CAS 876672-30-9) is a chemical compound with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662791, 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione, 8-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-1,3,5-trihyd ro-4-imidazolino[1,2-h]purine-2,4-dione, 8-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 8-(3-chloro-4-methoxyphenyl)-1,7-dimethyl-3-(2-methylallyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C20H20ClN5O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 2.68512 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.12546 |
| Heavy Atoms | 29 |
| Complexity | 1420.4109 |
Chemical Identifiers
| CAS Number | 876672-30-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC(=C(C=C4)OC)Cl)N(C(=O)N(C3=O)CC(=C)C)C |
Product Overview
BAS 12662791 (CAS 876672-30-9), with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol. IUPAC: 6-(3-chloro-4-methoxyphenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 12662791
Property Insights of BAS 12662791
The XLogP value of 2.68512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12662791. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662791. Following Lipinski's Rule of Five, BAS 12662791 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 12662791?
The CAS number of BAS 12662791 is 876672-30-9.
What is the molecular formula of BAS 12662791?
The molecular formula of BAS 12662791 is C20H20ClN5O3.
What is the molecular weight of BAS 12662791?
The molecular weight of BAS 12662791 is 413.13 g/mol.
Where can I buy BAS 12662791?
You can request a quote for BAS 12662791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12662791?
Yes, KEHONG BIO provides custom synthesis services for BAS 12662791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.