1-甲基-2,3-环己二酮
TL;DR: 1-甲基-2,3-环己二酮 (CAS 3008-43-3) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2,3-环己二酮
3-methylcyclohexane-1,2-dione
Also Known As: 3-Methylcyclohexane-1,2-dione, coffee dione, 3-Methyl-1,2-cyclohexanedione, 1-Methyl-2,3-cyclohexadione, methylcyclohexanedione
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
| Melting Point | 61.0 |
| Boiling Point | 69.0 |
Chemical Identifiers
| CAS Number | 3008-43-3 |
|---|---|
| SMILES | CC1CCCC(=O)C1=O |
| InChIKey | JDXJKLGWPNXSHL-UHFFFAOYSA-N |
Product Overview
1-甲基-2,3-环己二酮 (CAS 3008-43-3), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 3-methylcyclohexane-1,2-dione.
Chemical Property Profile of 1-甲基-2,3-环己二酮
Property Insights of 1-甲基-2,3-环己二酮
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基-2,3-环己二酮. With a topological polar surface area (TPSA) of 34.1 Ų, 1-甲基-2,3-环己二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-2,3-环己二酮 has 0 hydrogen bond donor(s) and 2 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 1-甲基-2,3-环己二酮?
The CAS number of 1-甲基-2,3-环己二酮 is 3008-43-3.
What is the molecular formula of 1-甲基-2,3-环己二酮?
The molecular formula of 1-甲基-2,3-环己二酮 is C7H10O2.
What is the molecular weight of 1-甲基-2,3-环己二酮?
The molecular weight of 1-甲基-2,3-环己二酮 is 126.07 g/mol.
Where can I buy 1-甲基-2,3-环己二酮?
You can request a quote for 1-甲基-2,3-环己二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-2,3-环己二酮?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2,3-环己二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.