BAS 13030092
TL;DR: BAS 13030092 (CAS 878733-10-9) is a chemical compound with molecular formula C22H25N5O3 and molecular weight 407.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 13030092, F3124-0521, 6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione, 8-(2-ethoxyphenyl)-1,6,7-trimethyl-3-(2-methylallyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(2-ethoxyphenyl)-1,6,7-trimethyl-3-(2-methylprop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C22H25N5O3 |
|---|---|
| Molecular Weight | 407.20 g/mol |
| LogP | 2.73024 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.19574 |
| Heavy Atoms | 30 |
| Complexity | 1431.5022 |
Chemical Identifiers
| CAS Number | 878733-10-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C)C)C |
Product Overview
BAS 13030092 (CAS 878733-10-9), with molecular formula C22H25N5O3 and molecular weight 407.20 g/mol. IUPAC: 6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of BAS 13030092
Property Insights of BAS 13030092
The XLogP value of 2.73024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13030092. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13030092. Following Lipinski's Rule of Five, BAS 13030092 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 13030092?
The CAS number of BAS 13030092 is 878733-10-9.
What is the molecular formula of BAS 13030092?
The molecular formula of BAS 13030092 is C22H25N5O3.
What is the molecular weight of BAS 13030092?
The molecular weight of BAS 13030092 is 407.20 g/mol.
Where can I buy BAS 13030092?
You can request a quote for BAS 13030092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13030092?
Yes, KEHONG BIO provides custom synthesis services for BAS 13030092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.