ChemDiv2_000538
TL;DR: ChemDiv2_000538 (CAS 32502-16-2) is a chemical compound with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Also Known As: ChemDiv2_000538, 3-(3,4-Dimethoxyphenyl)toxoflavine, 3-(3,4-Dimethoxyphenyl)-toxoflavin, Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(3,4-dimethoxyphenyl)-1,6-dimethyl-, 3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]tr
| Molecular Formula | C15H15N5O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.1124 |
| Heavy Atoms | 24 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 32502-16-2 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=C(C=C3)OC)OC)C |
| InChIKey | MWQDYWIWJRWUBC-UHFFFAOYSA-N |
Product Overview
ChemDiv2_000538 (CAS 32502-16-2), with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
Chemical Property Profile of ChemDiv2_000538
Property Insights of ChemDiv2_000538
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_000538. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000538. Following Lipinski's Rule of Five, ChemDiv2_000538 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 ChemDiv2_000538?
The CAS number of ChemDiv2_000538 is 32502-16-2.
What is the molecular formula of ChemDiv2_000538?
The molecular formula of ChemDiv2_000538 is C15H15N5O4.
What is the molecular weight of ChemDiv2_000538?
The molecular weight of ChemDiv2_000538 is 329.11 g/mol.
Where can I buy ChemDiv2_000538?
You can request a quote for ChemDiv2_000538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000538?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.