4-Sec-butoxy-3-ethoxybenzaldehyde
TL;DR: 4-Sec-butoxy-3-ethoxybenzaldehyde (CAS 915907-98-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yloxy-3-ethoxybenzaldehyde
Also Known As: 4-SEC-BUTOXY-3-ETHOXYBENZALDEHYDE, 4-(sec-Butoxy)-3-ethoxybenzaldehyde, 4-butan-2-yloxy-3-ethoxybenzaldehyde, 3-Ethoxy-4-sec-butoxy-benzaldehyde, CHEMBRDG-BB4023269
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.0751 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 347.03098 |
Chemical Identifiers
| CAS Number | 915907-98-1 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1)C=O)OCC |
Product Overview
4-Sec-butoxy-3-ethoxybenzaldehyde (CAS 915907-98-1), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 4-butan-2-yloxy-3-ethoxybenzaldehyde.
Chemical Property Profile of 4-Sec-butoxy-3-ethoxybenzaldehyde
Property Insights of 4-Sec-butoxy-3-ethoxybenzaldehyde
The XLogP value of 3.0751 indicates that 4-Sec-butoxy-3-ethoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Sec-butoxy-3-ethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Sec-butoxy-3-ethoxybenzaldehyde 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 4-Sec-butoxy-3-ethoxybenzaldehyde?
The CAS number of 4-Sec-butoxy-3-ethoxybenzaldehyde is 915907-98-1.
What is the molecular formula of 4-Sec-butoxy-3-ethoxybenzaldehyde?
The molecular formula of 4-Sec-butoxy-3-ethoxybenzaldehyde is C13H18O3.
What is the molecular weight of 4-Sec-butoxy-3-ethoxybenzaldehyde?
The molecular weight of 4-Sec-butoxy-3-ethoxybenzaldehyde is 222.13 g/mol.
Where can I buy 4-Sec-butoxy-3-ethoxybenzaldehyde?
You can request a quote for 4-Sec-butoxy-3-ethoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sec-butoxy-3-ethoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Sec-butoxy-3-ethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.