3-Butoxy-4-methoxybenzaldehyde
TL;DR: 3-Butoxy-4-methoxybenzaldehyde (CAS 34127-96-3) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-4-methoxybenzaldehyde
Also Known As: 3-Butoxy-4-methoxybenzaldehyde, Benzaldehyde,3-butoxy-4-methoxy-, 3-Butoxy-4-methoxy-benzaldehyde, Benzaldehyde, 3-butoxy-4-methoxy-, Benzaldehyde,3-butoxy-4-methoxy
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 34127-96-3 |
|---|---|
| SMILES | CCCCOC1=C(C=CC(=C1)C=O)OC |
| InChIKey | CSSRHTDXZIBTMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butoxy-4-methoxybenzaldehyde (CAS 34127-96-3), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-butoxy-4-methoxybenzaldehyde.
Chemical Property Profile of 3-Butoxy-4-methoxybenzaldehyde
Property Insights of 3-Butoxy-4-methoxybenzaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butoxy-4-methoxybenzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Butoxy-4-methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butoxy-4-methoxybenzaldehyde has 0 hydrogen bond donor(s) and 3 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-Butoxy-4-methoxybenzaldehyde?
The CAS number of 3-Butoxy-4-methoxybenzaldehyde is 34127-96-3.
What is the molecular formula of 3-Butoxy-4-methoxybenzaldehyde?
The molecular formula of 3-Butoxy-4-methoxybenzaldehyde is C12H16O3.
What is the molecular weight of 3-Butoxy-4-methoxybenzaldehyde?
The molecular weight of 3-Butoxy-4-methoxybenzaldehyde is 208.11 g/mol.
Where can I buy 3-Butoxy-4-methoxybenzaldehyde?
You can request a quote for 3-Butoxy-4-methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butoxy-4-methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Butoxy-4-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.