Megastigmatrienone B
TL;DR: Megastigmatrienone B (CAS 5298-13-5) 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.
(4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: Megastigmatrienone B, Megastigmatrienone, Megastigmatrienone C, Megastigmatrienone 3, EINECS 226-145-1
| 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 | 1 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 327.1447 |
Chemical Identifiers
| CAS Number | 5298-13-5 |
|---|---|
| SMILES | C/C=C\C=C/1\C(=CC(=O)CC1(C)C)C |
Product Overview
Megastigmatrienone B (CAS 5298-13-5), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: (4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of Megastigmatrienone B
Property Insights of Megastigmatrienone B
The XLogP value of 3.4342 indicates that Megastigmatrienone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Megastigmatrienone B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Megastigmatrienone B 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 Megastigmatrienone B?
The CAS number of Megastigmatrienone B is 5298-13-5.
What is the molecular formula of Megastigmatrienone B?
The molecular formula of Megastigmatrienone B is C13H18O.
What is the molecular weight of Megastigmatrienone B?
The molecular weight of Megastigmatrienone B is 190.14 g/mol.
Where can I buy Megastigmatrienone B?
You can request a quote for Megastigmatrienone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megastigmatrienone B?
Yes, KEHONG BIO provides custom synthesis services for Megastigmatrienone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.