(2-((Allylamino)carbonyl)phenoxy)acetic acid
TL;DR: (2-((Allylamino)carbonyl)phenoxy)acetic acid (CAS 119-45-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(prop-2-enylcarbamoyl)phenoxy]acetic acid
Also Known As: (2-((Allylamino)carbonyl)phenoxy)acetic acid, 2-[2-(prop-2-enylcarbamoyl)phenoxy]acetic acid, [2-(allylcarbamoyl)phenoxy]acetic acid, KST-1A0881, [2-[(Allylamino)carbonyl]phenoxy]acetic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 119-45-9 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC=CC=C1OCC(=O)O |
| InChIKey | IHBWXJXQXPFUAE-UHFFFAOYSA-N |
Product Overview
(2-((Allylamino)carbonyl)phenoxy)acetic acid (CAS 119-45-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-[2-(prop-2-enylcarbamoyl)phenoxy]acetic acid.
Chemical Property Profile of (2-((Allylamino)carbonyl)phenoxy)acetic acid
Property Insights of (2-((Allylamino)carbonyl)phenoxy)acetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-((Allylamino)carbonyl)phenoxy)acetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-((Allylamino)carbonyl)phenoxy)acetic acid. Following Lipinski's Rule of Five, (2-((Allylamino)carbonyl)phenoxy)acetic acid has 2 hydrogen bond donor(s) and 4 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 (2-((Allylamino)carbonyl)phenoxy)acetic acid?
The CAS number of (2-((Allylamino)carbonyl)phenoxy)acetic acid is 119-45-9.
What is the molecular formula of (2-((Allylamino)carbonyl)phenoxy)acetic acid?
The molecular formula of (2-((Allylamino)carbonyl)phenoxy)acetic acid is C12H13NO4.
What is the molecular weight of (2-((Allylamino)carbonyl)phenoxy)acetic acid?
The molecular weight of (2-((Allylamino)carbonyl)phenoxy)acetic acid is 235.08 g/mol.
Where can I buy (2-((Allylamino)carbonyl)phenoxy)acetic acid?
You can request a quote for (2-((Allylamino)carbonyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((Allylamino)carbonyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-((Allylamino)carbonyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.