2-Methylcyclohexa-1,4-diene-1-carbaldehyde
TL;DR: 2-Methylcyclohexa-1,4-diene-1-carbaldehyde (CAS 60468-98-6) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylcyclohexa-1,4-diene-1-carbaldehyde
Also Known As: 2-Methylcyclohexa-1,4-diene-1-carbaldehyde, 2-Methyl-cyclohexa-1,4-diencarbaldehyd, 2-methylcyclohexa-1,4-dienecarbaldehyde, 2-Methyl-1,4-cyclohexadiene-1-carbaldehyde, 1,4-Cyclohexadiene-1-carboxaldehyde,2-methyl-
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 60468-98-6 |
|---|---|
| SMILES | CC1=C(CC=CC1)C=O |
| InChIKey | BWDDYPIKNXWPEU-UHFFFAOYSA-N |
Product Overview
2-Methylcyclohexa-1,4-diene-1-carbaldehyde (CAS 60468-98-6), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 2-methylcyclohexa-1,4-diene-1-carbaldehyde.
Chemical Property Profile of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde
Property Insights of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylcyclohexa-1,4-diene-1-carbaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylcyclohexa-1,4-diene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylcyclohexa-1,4-diene-1-carbaldehyde has 0 hydrogen bond donor(s) and 1 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-Methylcyclohexa-1,4-diene-1-carbaldehyde?
The CAS number of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde is 60468-98-6.
What is the molecular formula of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde?
The molecular formula of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde is C8H10O.
What is the molecular weight of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde?
The molecular weight of 2-Methylcyclohexa-1,4-diene-1-carbaldehyde is 122.07 g/mol.
Where can I buy 2-Methylcyclohexa-1,4-diene-1-carbaldehyde?
You can request a quote for 2-Methylcyclohexa-1,4-diene-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylcyclohexa-1,4-diene-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylcyclohexa-1,4-diene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.