二氢茉莉酮
TL;DR: 二氢茉莉酮 (CAS 1128-08-1) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢茉莉酮
3-methyl-2-pentylcyclopent-2-en-1-one
Also Known As: Dihydrojasmone, Jasmone, dihydro-, 3-methyl-2-pentylcyclopent-2-en-1-one, dihydrojasmon, dihydro-jasmone
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
| Density | 0.911-0.917 |
| Solubility | Soluble in fats; Very slightly soluble in water |
| Refractive Index | 1.676-1.682 |
Chemical Identifiers
| CAS Number | 1128-08-1 |
|---|---|
| SMILES | CCCCCC1=C(CCC1=O)C |
| InChIKey | YCIXWYOBMVNGTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢茉莉酮 (CAS 1128-08-1), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 3-methyl-2-pentylcyclopent-2-en-1-one.
Chemical Property Profile of 二氢茉莉酮
Property Insights of 二氢茉莉酮
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氢茉莉酮. With a topological polar surface area (TPSA) of 17.1 Ų, 二氢茉莉酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢茉莉酮 has 0 hydrogen bond donor(s) and 1 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 二氢茉莉酮?
The CAS number of 二氢茉莉酮 is 1128-08-1.
What is the molecular formula of 二氢茉莉酮?
The molecular formula of 二氢茉莉酮 is C11H18O.
What is the molecular weight of 二氢茉莉酮?
The molecular weight of 二氢茉莉酮 is 166.14 g/mol.
Where can I buy 二氢茉莉酮?
You can request a quote for 二氢茉莉酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢茉莉酮?
Yes, KEHONG BIO provides custom synthesis services for 二氢茉莉酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.