Diallyloxyacetic acid
TL;DR: Diallyloxyacetic acid (CAS 161823-92-3) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(prop-2-enoxy)acetic acid
Also Known As: diallyloxyacetic acid, 2,2-bis(prop-2-enoxy)acetic acid, 2,2-diprop-2-enoxyacetic Acid, Acetic acid, bis(2-propenyloxy)-, Bis[(prop-2-en-1-yl)oxy]acetic acid
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.8023 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 152.4408 |
Chemical Identifiers
| CAS Number | 161823-92-3 |
|---|---|
| SMILES | C=CCOC(C(=O)O)OCC=C |
Product Overview
Diallyloxyacetic acid (CAS 161823-92-3), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 2,2-bis(prop-2-enoxy)acetic acid.
Chemical Property Profile of Diallyloxyacetic acid
Property Insights of Diallyloxyacetic acid
The XLogP value of 0.8023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyloxyacetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, Diallyloxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyloxyacetic acid 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 Diallyloxyacetic acid?
The CAS number of Diallyloxyacetic acid is 161823-92-3.
What is the molecular formula of Diallyloxyacetic acid?
The molecular formula of Diallyloxyacetic acid is C8H12O4.
What is the molecular weight of Diallyloxyacetic acid?
The molecular weight of Diallyloxyacetic acid is 172.07 g/mol.
Where can I buy Diallyloxyacetic acid?
You can request a quote for Diallyloxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyloxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Diallyloxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.