BAS 13029608
TL;DR: BAS 13029608 (CAS 878726-77-3) 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-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13029608, VU0492536-1, F3124-0043, 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(2,3-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 | 878726-77-3 |
|---|---|
| SMILES | CCOCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=CC(=C4C)C)C)N(C1=O)C |
Product Overview
BAS 13029608 (CAS 878726-77-3), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13029608
Property Insights of BAS 13029608
The XLogP value of 2.10036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13029608. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13029608. Following Lipinski's Rule of Five, BAS 13029608 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 13029608?
The CAS number of BAS 13029608 is 878726-77-3.
What is the molecular formula of BAS 13029608?
The molecular formula of BAS 13029608 is C21H25N5O3.
What is the molecular weight of BAS 13029608?
The molecular weight of BAS 13029608 is 395.20 g/mol.
Where can I buy BAS 13029608?
You can request a quote for BAS 13029608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13029608?
Yes, KEHONG BIO provides custom synthesis services for BAS 13029608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.