![2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid structure](/static/products/102/1025645-97-9.png)
2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
TL;DR: 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1025645-97-9) is a chemical compound with molecular formula C20H15N3O8 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid, 2-[4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid
| Molecular Formula | C20H15N3O8 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 2.37508 |
| Topological Polar Surface Area | 161.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.0859 |
| Heavy Atoms | 31 |
| Complexity | 1102.6434 |
Chemical Identifiers
| CAS Number | 1025645-97-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C#N |
Product Overview
2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1025645-97-9), with molecular formula C20H15N3O8 and molecular weight 425.09 g/mol. IUPAC: 2-[4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
Property Insights of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
The XLogP value of 2.37508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. The TPSA of 161.02 Ų indicates high polarity, suggesting 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid has 2 hydrogen bond donor(s) and 8 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-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The CAS number of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 1025645-97-9.
What is the molecular formula of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular formula of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is C20H15N3O8.
What is the molecular weight of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular weight of 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 425.09 g/mol.
Where can I buy 2-(4-{2-cyano-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
You can request a quote for 2-(4-{2-cyano-2-[(7-nitro-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-(4-{2-cyano-2-[(7-nitro-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-(4-{2-cyano-2-[(7-nitro-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.