1,2,3,6-四氢苯甲醛
TL;DR: 1,2,3,6-四氢苯甲醛 (CAS 100-50-5) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,6-四氢苯甲醛
cyclohex-3-ene-1-carbaldehyde
Also Known As: 3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-Formylcyclohexene, Cyclohex-3-ene-1-carbaldehyde, 1,2,3,6-Tetrahydrobenzaldehyde, 1-Formyl-3-cyclohexene
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
| Melting Point | 2 °C |
| Boiling Point | 105 °C |
| Density | 0.9694 @ 20 °C |
| Solubility | Soluble in acetone and methanol, slightly soluble in cabon tetrachloride. |
| Flash Point | 57.2 °C (NFPA, 2010) |
| Vapor Pressure | 1.8 [mmHg] |
| Refractive Index | MAXIMUM ABSORPTION (ETHANOL): 231 NM (LOG E= 4.12); 1.5005 @ 20 °C |
Chemical Identifiers
| CAS Number | 100-50-5 |
|---|---|
| SMILES | C1CC(CC=C1)C=O |
| InChIKey | DCFDVJPDXYGCOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-四氢苯甲醛 (CAS 100-50-5), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: cyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 1,2,3,6-四氢苯甲醛
Property Insights of 1,2,3,6-四氢苯甲醛
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-四氢苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,3,6-四氢苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-四氢苯甲醛 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 1,2,3,6-四氢苯甲醛?
The CAS number of 1,2,3,6-四氢苯甲醛 is 100-50-5.
What is the molecular formula of 1,2,3,6-四氢苯甲醛?
The molecular formula of 1,2,3,6-四氢苯甲醛 is C7H10O.
What is the molecular weight of 1,2,3,6-四氢苯甲醛?
The molecular weight of 1,2,3,6-四氢苯甲醛 is 110.07 g/mol.
Where can I buy 1,2,3,6-四氢苯甲醛?
You can request a quote for 1,2,3,6-四氢苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-四氢苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-四氢苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.