3-Isopropoxybenzaldehyde
TL;DR: 3-Isopropoxybenzaldehyde (CAS 76623-31-9) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yloxybenzaldehyde
Also Known As: 3-Isopropoxybenzaldehyde, 3-propan-2-yloxybenzaldehyde, 3-Isopropoxy-benzaldehyde, 3-(propan-2-yloxy)benzaldehyde, 3-iso-propoxybenzaldehyde
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 76623-31-9 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C=O |
| InChIKey | NOBKCEXLDDGYID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropoxybenzaldehyde (CAS 76623-31-9), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3-propan-2-yloxybenzaldehyde.
Chemical Property Profile of 3-Isopropoxybenzaldehyde
Property Insights of 3-Isopropoxybenzaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxybenzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Isopropoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropoxybenzaldehyde has 0 hydrogen bond donor(s) and 2 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 3-Isopropoxybenzaldehyde?
The CAS number of 3-Isopropoxybenzaldehyde is 76623-31-9.
What is the molecular formula of 3-Isopropoxybenzaldehyde?
The molecular formula of 3-Isopropoxybenzaldehyde is C10H12O2.
What is the molecular weight of 3-Isopropoxybenzaldehyde?
The molecular weight of 3-Isopropoxybenzaldehyde is 164.08 g/mol.
Where can I buy 3-Isopropoxybenzaldehyde?
You can request a quote for 3-Isopropoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.