丁氧基乙醛
TL;DR: 丁氧基乙醛 (CAS 29043-89-8) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁氧基乙醛
2-butoxyacetaldehyde
Also Known As: Butoxyacetaldehyde, 2-butoxyacetaldehyde, n-Butoxyacetaldehyde, Acetaldehyde, 2-butoxy-, Acetaldehyde, butoxy-
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 29043-89-8 |
|---|---|
| SMILES | CCCCOCC=O |
| InChIKey | RPLPGIHCAYAYKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁氧基乙醛 (CAS 29043-89-8), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2-butoxyacetaldehyde.
Chemical Property Profile of 丁氧基乙醛
Property Insights of 丁氧基乙醛
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁氧基乙醛. With a topological polar surface area (TPSA) of 26.3 Ų, 丁氧基乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁氧基乙醛 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 丁氧基乙醛?
The CAS number of 丁氧基乙醛 is 29043-89-8.
What is the molecular formula of 丁氧基乙醛?
The molecular formula of 丁氧基乙醛 is C6H12O2.
What is the molecular weight of 丁氧基乙醛?
The molecular weight of 丁氧基乙醛 is 116.08 g/mol.
Where can I buy 丁氧基乙醛?
You can request a quote for 丁氧基乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁氧基乙醛?
Yes, KEHONG BIO provides custom synthesis services for 丁氧基乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.