Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 777-28-6 | MDL No. : | MFCD01764783 |
Formula : | C9H8F2O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KELQPDLVHXMGBI-UHFFFAOYSA-N |
M.W : | 202.15 | Pubchem ID : | 302884 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 44.24 |
TPSA : | 46.53 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.4 cm/s |
Log Po/w (iLOGP) : | 1.77 |
Log Po/w (XLOGP3) : | 1.59 |
Log Po/w (WLOGP) : | 2.66 |
Log Po/w (MLOGP) : | 2.21 |
Log Po/w (SILICOS-IT) : | 2.29 |
Consensus Log Po/w : | 2.1 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.15 |
Solubility : | 1.44 mg/ml ; 0.00711 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.18 |
Solubility : | 1.34 mg/ml ; 0.00663 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.88 |
Solubility : | 0.263 mg/ml ; 0.0013 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.73 |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | |
Hazard Statements: | H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
![]() |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: aqueous sulfuric acid; sodium nitrite / Erhitzen des Reaktionsgemisches mit Kupfer(II)-sulfat auf 180grad 2: aq. NaOH solution |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 2,4-difluorophenol; acrylonitrile With benzyltrimethylammonium chloride for 120h; Reflux; Stage #2: With hydrogenchloride for 16h; Reflux; |
[ 2967-72-8 ]
3-(2-Fluorophenoxy)propionic Acid
Similarity: 0.98
[ 1443347-75-8 ]
Ethyl 3-(2,6-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099636-27-7 ]
Ethyl 3-(2,4-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099670-07-1 ]
Ethyl 3-(2-fluorophenoxy)propanoate
Similarity: 0.89
[ 1579-78-8 ]
3-(4-Fluorophenoxy)propionic acid
Similarity: 0.88
[ 2967-72-8 ]
3-(2-Fluorophenoxy)propionic Acid
Similarity: 0.98
[ 1443347-75-8 ]
Ethyl 3-(2,6-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099636-27-7 ]
Ethyl 3-(2,4-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099670-07-1 ]
Ethyl 3-(2-fluorophenoxy)propanoate
Similarity: 0.89
[ 1579-78-8 ]
3-(4-Fluorophenoxy)propionic acid
Similarity: 0.88
[ 2967-72-8 ]
3-(2-Fluorophenoxy)propionic Acid
Similarity: 0.98
[ 1443347-75-8 ]
Ethyl 3-(2,6-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099636-27-7 ]
Ethyl 3-(2,4-difluorophenoxy)propanoate
Similarity: 0.91
[ 1099670-07-1 ]
Ethyl 3-(2-fluorophenoxy)propanoate
Similarity: 0.89
[ 1579-78-8 ]
3-(4-Fluorophenoxy)propionic acid
Similarity: 0.88
[ 2967-72-8 ]
3-(2-Fluorophenoxy)propionic Acid
Similarity: 0.98
[ 1579-78-8 ]
3-(4-Fluorophenoxy)propionic acid
Similarity: 0.88
[ 133077-42-6 ]
3-(3-Fluorophenoxy)propionic Acid
Similarity: 0.86
[ 1416444-71-7 ]
(S)-3-(2-Fluorophenoxy)butanoic acid
Similarity: 0.85
[ 1416445-12-9 ]
(R)-3-(2-Fluorophenoxy)butanoic acid
Similarity: 0.85