alpha-Irigermanal
TL;DR: alpha-Irigermanal (CAS 81456-96-4) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-enyl]cyclohexylidene]propanal
Also Known As: alpha-Irigermanal, .alpha.-Irigermanal, IRIGERMANAL, ALPHA, (2E)-2-[4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-enyl]cyclohexylidene]propanal, (2E)-2-{4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E)-4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-en-1-yl]cyclohexylidene}propanal
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 7.5768 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 797.4947 |
Chemical Identifiers
| CAS Number | 81456-96-4 |
|---|---|
| SMILES | CC1CC=C(C(C1(C)C)CC/C(=C/CCC2(C(/C(=C(\C)/C=O)/CCC2(C)O)CCCO)C)/C)C |
Product Overview
alpha-Irigermanal (CAS 81456-96-4), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: (2E)-2-[4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-enyl]cyclohexylidene]propanal.
Chemical Property Profile of alpha-Irigermanal
Property Insights of alpha-Irigermanal
The XLogP value of 7.5768 indicates that alpha-Irigermanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, alpha-Irigermanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Irigermanal has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Irigermanal?
The CAS number of alpha-Irigermanal is 81456-96-4.
What is the molecular formula of alpha-Irigermanal?
The molecular formula of alpha-Irigermanal is C31H52O3.
What is the molecular weight of alpha-Irigermanal?
The molecular weight of alpha-Irigermanal is 472.39 g/mol.
Where can I buy alpha-Irigermanal?
You can request a quote for alpha-Irigermanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Irigermanal?
Yes, KEHONG BIO provides custom synthesis services for alpha-Irigermanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.