3-乙氧基-2-氧代丁醛
TL;DR: 3-乙氧基-2-氧代丁醛 (CAS 3688-37-7) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙氧基-2-氧代丁醛
3-ethoxy-2-oxobutanal
Also Known As: 3-ethoxy-2-oxobutanal, 3-Ethoxy-2-oxobutyraldehyde, Kethoxal anhydrous, Kethoxal, Butanal, 3-ethoxy-2-oxo-
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 3688-37-7 |
|---|---|
| SMILES | CCOC(C)C(=O)C=O |
| InChIKey | VUNAKDMJSGEODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙氧基-2-氧代丁醛 (CAS 3688-37-7), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3-ethoxy-2-oxobutanal.
Chemical Property Profile of 3-乙氧基-2-氧代丁醛
Property Insights of 3-乙氧基-2-氧代丁醛
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙氧基-2-氧代丁醛. With a topological polar surface area (TPSA) of 43.4 Ų, 3-乙氧基-2-氧代丁醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙氧基-2-氧代丁醛 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-乙氧基-2-氧代丁醛?
The CAS number of 3-乙氧基-2-氧代丁醛 is 3688-37-7.
What is the molecular formula of 3-乙氧基-2-氧代丁醛?
The molecular formula of 3-乙氧基-2-氧代丁醛 is C6H10O3.
What is the molecular weight of 3-乙氧基-2-氧代丁醛?
The molecular weight of 3-乙氧基-2-氧代丁醛 is 130.06 g/mol.
Where can I buy 3-乙氧基-2-氧代丁醛?
You can request a quote for 3-乙氧基-2-氧代丁醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙氧基-2-氧代丁醛?
Yes, KEHONG BIO provides custom synthesis services for 3-乙氧基-2-氧代丁醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.