BAS 13029704
TL;DR: BAS 13029704 (CAS 878727-96-9) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029704, VU0492545-1, F3124-0137, 6-(2,5-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(2,5-dimethylphenyl)-3-(2-ethoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 2.10036 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 1353.1382 |
Chemical Identifiers
| CAS Number | 878727-96-9 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2C=C(N3C4=C(C=CC(=C4)C)C)C)N(C1=O)C |
Product Overview
BAS 13029704 (CAS 878727-96-9), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 6-(2,5-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029704
Property Insights of BAS 13029704
The XLogP value of 2.10036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029704. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029704. Following Lipinski's Rule of Five, BAS 13029704 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 13029704?
The CAS number of BAS 13029704 is 878727-96-9.
What is the molecular formula of BAS 13029704?
The molecular formula of BAS 13029704 is C21H25N5O3.
What is the molecular weight of BAS 13029704?
The molecular weight of BAS 13029704 is 395.20 g/mol.
Where can I buy BAS 13029704?
You can request a quote for BAS 13029704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029704?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.