7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione
TL;DR: 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione (CAS 94591-38-5) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-1,3-dimethylpteridine-2,4-dione
Also Known As: 7-tert-butyl-1,3-dimethylpteridine-2,4-dione, 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione, AB-323/13887236, 7-(tert-butyl)-1,3-dimethyl-1,3-dihydropteridine-2,4-dione
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.3247 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 734.5416 |
Chemical Identifiers
| CAS Number | 94591-38-5 |
|---|---|
| SMILES | CC(C)(C)C1=CN=C2C(=N1)N(C(=O)N(C2=O)C)C |
Product Overview
7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione (CAS 94591-38-5), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 7-tert-butyl-1,3-dimethylpteridine-2,4-dione.
Chemical Property Profile of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione
Property Insights of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione
The XLogP value of 0.3247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione. Following Lipinski's Rule of Five, 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione 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 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione?
The CAS number of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione is 94591-38-5.
What is the molecular formula of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione?
The molecular formula of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione is C12H16N4O2.
What is the molecular weight of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione?
The molecular weight of 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione is 248.13 g/mol.
Where can I buy 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione?
You can request a quote for 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-butyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.