![2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid structure](/static/products/4448/444800-80-0.webp)
2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
TL;DR: 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 444800-80-0) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenoxy]acetic acid
Also Known As: 2-(4-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 1.58158 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 582.68634 |
Chemical Identifiers
| CAS Number | 444800-80-0 |
|---|---|
| SMILES | CC(C)NC(=O)/C(=C\C1=CC=C(C=C1)OCC(=O)O)/C#N |
Product Overview
2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 444800-80-0), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: 2-[4-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
Property Insights of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
The XLogP value of 1.58158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}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-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The CAS number of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 444800-80-0.
What is the molecular formula of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular formula of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is C15H16N2O4.
What is the molecular weight of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular weight of 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 288.11 g/mol.
Where can I buy 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
You can request a quote for 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}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-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-{2-Cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.