3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
TL;DR: 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde (CAS 6345-94-4) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Also Known As: 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, 3- cyclohex-3-ene-1-carbaldehyde, 3-(4-Hydroxy-4-methylpentyl)-3-Cyclohexene-1-carboxaldehyde, 3-(4-hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde, J2.596.069F
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6345-94-4 |
|---|---|
| SMILES | CC(C)(CCCC1=CCCC(C1)C=O)O |
| InChIKey | OLXLPKQCGWYRFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde (CAS 6345-94-4), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Property Insights of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde has 1 hydrogen bond donor(s) and 2 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 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The CAS number of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is 6345-94-4.
What is the molecular formula of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The molecular formula of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is C13H22O2.
What is the molecular weight of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The molecular weight of 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is 210.16 g/mol.
Where can I buy 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
You can request a quote for 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.