![{4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid structure](/static/products/836/836661-86-0.png)
{4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid
TL;DR: {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid (CAS 836661-86-0) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-[4-(2-carbamothioyl-2-cyano-ethenyl)phenoxy]acetic Acid, [4-(3-amino-2-cyano-3-thioxo-1-propen-1-yl)phenoxy]acetic acid, (E)-2-(4-(3-amino-2-cyano-3-thioxoprop-1-en-1-yl)phenoxy)acetic acid, {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid, 2-[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenoxy]acetic acid
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.34308 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 529.24866 |
Chemical Identifiers
| CAS Number | 836661-86-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=S)N)OCC(=O)O |
Product Overview
{4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid (CAS 836661-86-0), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 2-[4-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid
Property Insights of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid
The XLogP value of 1.34308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid. Following Lipinski's Rule of Five, {4-[(1E)-3-amino-2-cyano-3-thioxoprop-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 {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid?
The CAS number of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid is 836661-86-0.
What is the molecular formula of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid?
The molecular formula of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid is C12H10N2O3S.
What is the molecular weight of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid?
The molecular weight of {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid is 262.04 g/mol.
Where can I buy {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid?
You can request a quote for {4-[(1E)-3-amino-2-cyano-3-thioxoprop-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 {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.