Grandlure
TL;DR: Grandlure (CAS 11104-05-5) is a chemical compound with molecular formula C30H52O3 and molecular weight 460.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3,3-dimethylcyclohexylidene)acetaldehyde;(2Z)-2-(3,3-dimethylcyclohexylidene)ethanol;2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol
Also Known As: Grandlure, (2E)-2-(3,3-dimethylcyclohexylidene)acetaldehyde;(2Z)-2-(3,3-dimethylcyclohexylidene)ethanol;2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol, Acetaldehyde, (3,3-dimethylcyclohexylidene)-, mixt. with (Z)-2-(3,3-dimethylcyclohexylidene)ethanol and (1R-cis)-1-methyl-2-(1-methylethenyl)cyclobutaneethanol, Acetaldehyde, (3,3-dimethylcyclohexylidene)-, (2E)-, mixt. with (2Z)-2-(3,3-dimethylcyclohexylidene)ethanol and (1R,2S)-1-methyl-2-(1-methylethenyl)cyclobutaneethanol, (2E)-2-(3,3-dimethylcyclohexylidene)acetaldehyde; (2Z)-2-(3,3-dimethylcyclohexylidene)ethanol; 2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol
| Molecular Formula | C30H52O3 |
|---|---|
| Molecular Weight | 460.39 g/mol |
| LogP | 7.5784 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 682.6553 |
Chemical Identifiers
| CAS Number | 11104-05-5 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]1(C)CCO.CC1(CCC/C(=C/CO)/C1)C.CC1(CCC/C(=C\C=O)/C1)C |
Product Overview
Grandlure (CAS 11104-05-5), with molecular formula C30H52O3 and molecular weight 460.39 g/mol. IUPAC: (2E)-2-(3,3-dimethylcyclohexylidene)acetaldehyde;(2Z)-2-(3,3-dimethylcyclohexylidene)ethanol;2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol.
Chemical Property Profile of Grandlure
Property Insights of Grandlure
The XLogP value of 7.5784 indicates that Grandlure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, Grandlure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Grandlure 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 Grandlure?
The CAS number of Grandlure is 11104-05-5.
What is the molecular formula of Grandlure?
The molecular formula of Grandlure is C30H52O3.
What is the molecular weight of Grandlure?
The molecular weight of Grandlure is 460.39 g/mol.
Where can I buy Grandlure?
You can request a quote for Grandlure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grandlure?
Yes, KEHONG BIO provides custom synthesis services for Grandlure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.