![2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid structure](/static/products/105/1054491-34-7.png)
2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
TL;DR: 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1054491-34-7) is a chemical compound with molecular formula C20H16N2O6 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid, 2-[2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
| Molecular Formula | C20H16N2O6 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 2.46688 |
| Topological Polar Surface Area | 117.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10083 |
| Heavy Atoms | 28 |
| Complexity | 976.9015 |
Chemical Identifiers
| CAS Number | 1054491-34-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)/C(=C/C3=CC=CC=C3OCC(=O)O)/C#N |
Product Overview
2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1054491-34-7), with molecular formula C20H16N2O6 and molecular weight 380.10 g/mol. IUPAC: 2-[2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
Property Insights of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
The XLogP value of 2.46688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. The TPSA of 117.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 6 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-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The CAS number of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 1054491-34-7.
What is the molecular formula of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular formula of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is C20H16N2O6.
What is the molecular weight of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular weight of 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 380.10 g/mol.
Where can I buy 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
You can request a quote for 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-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-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{2-cyano-2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.