丁氧基乙酸
TL;DR: 丁氧基乙酸 (CAS 2516-93-0) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁氧基乙酸
2-butoxyacetic acid
Also Known As: Butoxyacetic acid, 2-Butoxyacetic acid, n-Butoxyacetic acid, Acetic acid, butoxy-, Acetic acid, 2-butoxy-
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 2516-93-0 |
|---|---|
| SMILES | CCCCOCC(=O)O |
| InChIKey | AJQOASGWDCBKCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁氧基乙酸 (CAS 2516-93-0), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2-butoxyacetic acid.
Chemical Property Profile of 丁氧基乙酸
Property Insights of 丁氧基乙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁氧基乙酸. With a topological polar surface area (TPSA) of 46.5 Ų, 丁氧基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁氧基乙酸 has 1 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 丁氧基乙酸?
The CAS number of 丁氧基乙酸 is 2516-93-0.
What is the molecular formula of 丁氧基乙酸?
The molecular formula of 丁氧基乙酸 is C6H12O3.
What is the molecular weight of 丁氧基乙酸?
The molecular weight of 丁氧基乙酸 is 132.08 g/mol.
Where can I buy 丁氧基乙酸?
You can request a quote for 丁氧基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁氧基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 丁氧基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.