大马烯酮
TL;DR: 大马烯酮 (CAS 59739-63-8) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大马烯酮
(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Also Known As: Damascenone, beta-Damascenone, trans-damascenone, trans-beta-Damascenone, damascone
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.4342 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 327.1447 |
Chemical Identifiers
| CAS Number | 59739-63-8 |
|---|---|
| SMILES | C/C=C/C(=O)C1=C(C=CCC1(C)C)C |
Product Overview
大马烯酮 (CAS 59739-63-8), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one.
Chemical Property Profile of 大马烯酮
Property Insights of 大马烯酮
The XLogP value of 3.4342 indicates that 大马烯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 大马烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 大马烯酮 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 大马烯酮?
The CAS number of 大马烯酮 is 59739-63-8.
What is the molecular formula of 大马烯酮?
The molecular formula of 大马烯酮 is C13H18O.
What is the molecular weight of 大马烯酮?
The molecular weight of 大马烯酮 is 190.14 g/mol.
Where can I buy 大马烯酮?
You can request a quote for 大马烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大马烯酮?
Yes, KEHONG BIO provides custom synthesis services for 大马烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.