2-Hydroxyhexanal
TL;DR: 2-Hydroxyhexanal (CAS 41472-84-8) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyhexanal
Also Known As: 2-Hydroxyhexanal, 2-hydroxy-hexanal, 2-hydroxy caproaldehyde, HEXANAL, 2-HYDROXY-, 3-01-00-03228 (Beilstein Handbook Reference)
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 41472-84-8 |
|---|---|
| SMILES | CCCCC(C=O)O |
| InChIKey | BRZMRZVKWQWYPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxyhexanal (CAS 41472-84-8), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2-hydroxyhexanal.
Chemical Property Profile of 2-Hydroxyhexanal
Property Insights of 2-Hydroxyhexanal
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyhexanal. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hydroxyhexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyhexanal 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 2-Hydroxyhexanal?
The CAS number of 2-Hydroxyhexanal is 41472-84-8.
What is the molecular formula of 2-Hydroxyhexanal?
The molecular formula of 2-Hydroxyhexanal is C6H12O2.
What is the molecular weight of 2-Hydroxyhexanal?
The molecular weight of 2-Hydroxyhexanal is 116.08 g/mol.
Where can I buy 2-Hydroxyhexanal?
You can request a quote for 2-Hydroxyhexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyhexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyhexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.