![methyl[?]dione structure](/static/products/5759/57595-35-4.webp)
methyl[?]dione
TL;DR: methyl[?]dione (CAS 57595-35-4) 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[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione
Also Known As: methyl[?]dione, Dehydroaflatoxin D1, 2-methyl-hexahydro-6-oxa-2,3a,7c-triaza-4,4e-cyclo-cyclopent, 14-Methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.0~2,6~.0~2,7~.0~6,11~.0~8,10~.0~12,16~]hexadecane-13,15-dione, 14-Methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 57595-35-4 |
|---|---|
| SMILES | CN1C(=O)N2C3C4C5C4C(N2C1=O)C67C5C36COC7 |
| InChIKey | FWUYOYYYNCHIIG-UHFFFAOYSA-N |
Product Overview
methyl[?]dione (CAS 57595-35-4), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione.
Chemical Property Profile of methyl[?]dione
Property Insights of methyl[?]dione
The XLogP value of -0.6 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 53.1 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 57595-35-4.
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.