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. : | 135643-82-2 | MDL No. : | MFCD18253459 |
Formula : | C8H14O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XWLKUYMAKPMCBD-UHFFFAOYSA-N |
M.W : | 174.19 g/mol | Pubchem ID : | 10954008 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.88 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 41.91 |
TPSA : | 44.76 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) : | -6.75 cm/s |
Log Po/w (iLOGP) : | 2.19 |
Log Po/w (XLOGP3) : | 0.86 |
Log Po/w (WLOGP) : | 0.7 |
Log Po/w (MLOGP) : | 0.24 |
Log Po/w (SILICOS-IT) : | 1.09 |
Consensus Log Po/w : | 1.02 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.2 |
Solubility : | 11.0 mg/ml ; 0.0634 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.38 |
Solubility : | 7.2 mg/ml ; 0.0413 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.0 |
Solubility : | 17.6 mg/ml ; 0.101 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.17 |
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: |
![]() |
* 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 |
---|---|---|
96% | With hydrogenchloride; In N-methyl-acetamide; methanol; | A. Under nitrogen with stirring at room temperature solution of 17beta-hydroxy-5alpha-androstan-3-one (the compound of Formula VII wherein X-Y is STR14 and Z is H, 145.2 g.) in dry dimethylformamide (500 ml.) was added slowly to a suspension of sodium hydride (60%, 48 g.) in dry dimethylformamide (100 ml.). A solution of <strong>[135643-82-2]methyl glycolate tetrahydropyranyl ether</strong> (130.5 g.) in dry dimethylformamide (100 ml.) was then slowly added. After continued stirring overnight methanol (50 ml.) was added slowly. The resulting mixture was poured into ice-water (4 1.). The resulting solution was filtered and the filter pad was washed with water. Neutralization of the filtrate with hydrochloric acid (6N) gave a white crystalline solid, which was collected by filtration, washed with water and dried, affording 17beta-hydroxy-2alpha-[(tetrahydro-2H-pyran-2-yl)oxy]acetyl}-5alpha-androstan-3-one (the compound of Formula VI wherein Q' is tetrahydropyranyl, X-Y is STR15 and Z is H; 206 g, 96% yield). Recrystallization of part (15.0 g.) of the product from cyclohexane gave a white crystalline solid (12.0 g.) having m.r. 128-131 C. |
[ 61675-94-3 ]
Ethyl 2-((tetrahydro-2H-pyran-2-yl)oxy)acetate
Similarity: 0.97
[ 10495-09-7 ]
Ethyl 4,4-diethoxy-3-oxobutanoate
Similarity: 0.68
[ 61675-94-3 ]
Ethyl 2-((tetrahydro-2H-pyran-2-yl)oxy)acetate
Similarity: 0.97
[ 83-87-4 ]
(3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
Similarity: 0.72
[ 10495-09-7 ]
Ethyl 4,4-diethoxy-3-oxobutanoate
Similarity: 0.68
[ 78086-72-3 ]
(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Similarity: 0.67
[ 61675-94-3 ]
Ethyl 2-((tetrahydro-2H-pyran-2-yl)oxy)acetate
Similarity: 0.97
[ 83-87-4 ]
(3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
Similarity: 0.72
[ 4388-56-1 ]
3-(1,3-Dioxolan-2-yl)propanoic acid
Similarity: 0.71
[ 84355-44-2 ]
Methyl tetrahydro-2H-pyran-2-carboxylate
Similarity: 0.66
[ 60456-21-5 ]
(S)-Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
Similarity: 0.65
[ 61675-94-3 ]
Ethyl 2-((tetrahydro-2H-pyran-2-yl)oxy)acetate
Similarity: 0.97
[ 83-87-4 ]
(3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
Similarity: 0.72
[ 84355-44-2 ]
Methyl tetrahydro-2H-pyran-2-carboxylate
Similarity: 0.66
[ 51673-83-7 ]
Tetrahydro-2H-pyran-2-carboxylic acid
Similarity: 0.61