Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-
TL;DR: Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- (CAS 50928-23-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(hydroxymethyl)cyclohexene-1-carbaldehyde
Also Known As: Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-, 2,3-bis(hydroxymethyl)cyclohexene-1-carbaldehyde, 2,3-Bis(hydroxymethyl)cyclohex-1-ene-1-carbaldehyde
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.2666 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 195.95033 |
Chemical Identifiers
| CAS Number | 50928-23-9 |
|---|---|
| SMILES | C1CC(C(=C(C1)C=O)CO)CO |
Product Overview
Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- (CAS 50928-23-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: 2,3-bis(hydroxymethyl)cyclohexene-1-carbaldehyde.
Chemical Property Profile of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-
Property Insights of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-
The XLogP value of 0.2666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-. With a topological polar surface area (TPSA) of 57.53 Ų, Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- has 2 hydrogen bond donor(s) and 3 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 Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-?
The CAS number of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- is 50928-23-9.
What is the molecular formula of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-?
The molecular formula of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- is C9H14O3.
What is the molecular weight of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-?
The molecular weight of Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- is 170.09 g/mol.
Where can I buy Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-?
You can request a quote for Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexenecarboxaldehyde, bis(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexenecarboxaldehyde, bis(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.