间乙基苯甲醛
TL;DR: 间乙基苯甲醛 (CAS 34246-54-3) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间乙基苯甲醛
3-ethylbenzaldehyde
Also Known As: 3-Ethylbenzaldehyde, m-Ethylbenzaldehyde, Benzaldehyde, 3-ethyl-, 3-Ethyl-benzaldehyde, Benzaldehyde, ethyl-
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 34246-54-3 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)C=O |
| InChIKey | LLYXUFQXCNIGDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间乙基苯甲醛 (CAS 34246-54-3), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 3-ethylbenzaldehyde.
Chemical Property Profile of 间乙基苯甲醛
Property Insights of 间乙基苯甲醛
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间乙基苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 间乙基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间乙基苯甲醛 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 间乙基苯甲醛?
The CAS number of 间乙基苯甲醛 is 34246-54-3.
What is the molecular formula of 间乙基苯甲醛?
The molecular formula of 间乙基苯甲醛 is C9H10O.
What is the molecular weight of 间乙基苯甲醛?
The molecular weight of 间乙基苯甲醛 is 134.07 g/mol.
Where can I buy 间乙基苯甲醛?
You can request a quote for 间乙基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间乙基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 间乙基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.