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) ]} | Inquiry {[ 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. : | 1290540-34-9 | MDL No. : | MFCD30737825 |
Formula : | C13H24O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YREOXBTXUJZJEC-UHFFFAOYSA-N |
M.W : | 244.33 | Pubchem ID : | 88285899 |
Synonyms : |
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.85 |
Num. rotatable bonds : | 10 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 67.7 |
TPSA : | 63.6 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) : | -5.75 cm/s |
Log Po/w (iLOGP) : | 2.85 |
Log Po/w (XLOGP3) : | 2.87 |
Log Po/w (WLOGP) : | 3.14 |
Log Po/w (MLOGP) : | 2.4 |
Log Po/w (SILICOS-IT) : | 2.81 |
Consensus Log Po/w : | 2.81 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.5 |
Solubility : | 0.767 mg/ml ; 0.00314 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.86 |
Solubility : | 0.0333 mg/ml ; 0.000136 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.99 |
Solubility : | 0.248 mg/ml ; 0.00102 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.24 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
A107224[ 843666-40-0 ]
18-(tert-Butoxy)-18-oxooctadecanoic acid
Reason: Derivatives
A104959[ 234081-96-0 ]
10-(tert-Butoxy)-10-oxodecanoic acid
Reason: Derivatives
[ 843666-40-0 ]
18-(tert-Butoxy)-18-oxooctadecanoic acid
Similarity: 1.00
[ 234081-94-8 ]
8-(tert-Butoxy)-8-oxooctanoic acid
Similarity: 1.00
[ 234081-96-0 ]
10-(tert-Butoxy)-10-oxodecanoic acid
Similarity: 1.00
[ 683239-16-9 ]
20-(tert-Butoxy)-20-oxoicosanoic acid
Similarity: 1.00
[ 234081-98-2 ]
12-(tert-Butoxy)-12-oxododecanoic acid
Similarity: 1.00
[ 843666-40-0 ]
18-(tert-Butoxy)-18-oxooctadecanoic acid
Similarity: 1.00
[ 234081-94-8 ]
8-(tert-Butoxy)-8-oxooctanoic acid
Similarity: 1.00
[ 234081-96-0 ]
10-(tert-Butoxy)-10-oxodecanoic acid
Similarity: 1.00
[ 683239-16-9 ]
20-(tert-Butoxy)-20-oxoicosanoic acid
Similarity: 1.00
[ 234081-98-2 ]
12-(tert-Butoxy)-12-oxododecanoic acid
Similarity: 1.00