(+)-trans-alpha-Irone
TL;DR: (+)-trans-alpha-Irone (CAS 90242-81-2) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1S,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one
Also Known As: (+)-trans-alpha-Irone, Irone .alpha. a, DL-trans-alpha-Irone, alpha-Irone, trans-(+)-, D-trans-alpha-Irone [MI]
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.7601 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 307.30038 |
Chemical Identifiers
| CAS Number | 90242-81-2 |
|---|---|
| SMILES | C[C@H]1CC=C([C@@H](C1(C)C)/C=C/C(=O)C)C |
Product Overview
(+)-trans-alpha-Irone (CAS 90242-81-2), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: (E)-4-[(1S,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]but-3-en-2-one.
Chemical Property Profile of (+)-trans-alpha-Irone
Property Insights of (+)-trans-alpha-Irone
The XLogP value of 3.7601 indicates that (+)-trans-alpha-Irone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (+)-trans-alpha-Irone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-trans-alpha-Irone 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 (+)-trans-alpha-Irone?
The CAS number of (+)-trans-alpha-Irone is 90242-81-2.
What is the molecular formula of (+)-trans-alpha-Irone?
The molecular formula of (+)-trans-alpha-Irone is C14H22O.
What is the molecular weight of (+)-trans-alpha-Irone?
The molecular weight of (+)-trans-alpha-Irone is 206.17 g/mol.
Where can I buy (+)-trans-alpha-Irone?
You can request a quote for (+)-trans-alpha-Irone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-trans-alpha-Irone?
Yes, KEHONG BIO provides custom synthesis services for (+)-trans-alpha-Irone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.