1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-
TL;DR: 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- (CAS 113088-66-7) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-ethylcyclohexa-1,3-diene-1-carbaldehyde
Also Known As: 1,3-cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-, 2-chloro-3-ethylcyclohexa-1,3-diene-1-carbaldehyde, 2-Chloro-3-ethyl-cyclohexa-1,3-dienecarbaldehyde, 2,4,7(1H,3H,8H)-Pteridinetrione,6,8-dimethyl-1,3-diphenyl, RefChem:218192
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 113088-66-7 |
|---|---|
| SMILES | CCC1=CCCC(=C1Cl)C=O |
| InChIKey | PRZWFMZFVPABLB-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- (CAS 113088-66-7), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-chloro-3-ethylcyclohexa-1,3-diene-1-carbaldehyde.
Chemical Property Profile of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-
Property Insights of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- 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 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-?
The CAS number of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- is 113088-66-7.
What is the molecular formula of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-?
The molecular formula of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- is C9H11ClO.
What is the molecular weight of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-?
The molecular weight of 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- is 170.05 g/mol.
Where can I buy 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-?
You can request a quote for 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexadiene-1-carboxaldehyde, 2-chloro-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.