![methyl[?]dione structure](/static/products/5759/57595-34-3.webp)
methyl[?]dione
TL;DR: methyl[?]dione (CAS 57595-34-3) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,8.06,11.07,10.012,16]hexadecane-13,15-dione
Also Known As: methyl[?]dione, 6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta(c)furo(3,4-d)(1,2,4)triazolo(1,2-a)pyridazine -8,10(9H)-dione, dihydro-9-methyl-, 6H-1,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta[c]furo [3,4-d][1,2,4]triazolo[1,2-a]pyridazine-8,10(9H)-dione, dihydro-9-methyl-, 6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta(c)furo(3,4-d)(1,2,4)triazolo(1,2-a)pyridazine-8,10(9H)-dione, dihydro-9-methyl-, 6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta[c]furo[3,4-d][1,2,4]triazolo[1,2-a]pyridazine -8,10(9H)-dione, dihydro-9-methyl-
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | -1.0335 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 767.667 |
Chemical Identifiers
| CAS Number | 57595-34-3 |
|---|---|
| SMILES | CN1C(=O)N2C3C4C5C6C4C37C6(C5N2C1=O)COC7 |
Product Overview
methyl[?]dione (CAS 57595-34-3), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,8.06,11.07,10.012,16]hexadecane-13,15-dione.
Chemical Property Profile of methyl[?]dione
Property Insights of methyl[?]dione
The XLogP value of -1.0335 indicates that methyl[?]dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.16 Ų, methyl[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl[?]dione has 0 hydrogen bond donor(s) and 3 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 methyl[?]dione?
The CAS number of methyl[?]dione is 57595-34-3.
What is the molecular formula of methyl[?]dione?
The molecular formula of methyl[?]dione is C13H13N3O3.
What is the molecular weight of methyl[?]dione?
The molecular weight of methyl[?]dione is 259.10 g/mol.
Where can I buy methyl[?]dione?
You can request a quote for methyl[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl[?]dione?
Yes, KEHONG BIO provides custom synthesis services for methyl[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.