AC 3092
TL;DR: AC 3092 (CAS 79448-13-8) is a chemical compound with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Also Known As: AC 3092, 3,7-Dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)ethyl)-8-(phenylmethyl)-1H-purine-2,6-dione, 8-BENZYL-7-(2-MORPHOLINOETHYL)THEOPHYLLINE, THEOPHYLLINE, 8-BENZYL-7-(2-MORPHOLINOETHYL)-, 8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
| Molecular Formula | C20H25N5O3 |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.19574 |
| Heavy Atoms | 28 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 79448-13-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCN4CCOCC4 |
| InChIKey | XKKXBBFOYVNTDX-UHFFFAOYSA-N |
Product Overview
AC 3092 (CAS 79448-13-8), with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol. IUPAC: 8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
Chemical Property Profile of AC 3092
Property Insights of AC 3092
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AC 3092. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AC 3092. Following Lipinski's Rule of Five, AC 3092 has 0 hydrogen bond donor(s) and 5 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 AC 3092?
The CAS number of AC 3092 is 79448-13-8.
What is the molecular formula of AC 3092?
The molecular formula of AC 3092 is C20H25N5O3.
What is the molecular weight of AC 3092?
The molecular weight of AC 3092 is 383.20 g/mol.
Where can I buy AC 3092?
You can request a quote for AC 3092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AC 3092?
Yes, KEHONG BIO provides custom synthesis services for AC 3092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.