Home Cart 0 Sign in  

[ CAS No. 573-20-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 573-20-6
Chemical Structure| 573-20-6
Structure of 573-20-6 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 573-20-6 ]

Related Doc. of [ 573-20-6 ]

Alternatived Products of [ 573-20-6 ]
Product Citations

Product Details of [ 573-20-6 ]

CAS No. :573-20-6 MDL No. :MFCD00021469
Formula : C15H14O4 Boiling Point : -
Linear Structure Formula :- InChI Key :RYWSYCQQUDFMAU-UHFFFAOYSA-N
M.W : 258.27 Pubchem ID :11310
Synonyms :
Acetomenaphthone;Menadiol diacetate;Vitamin K diacetate;NSC 403062;Kapilin
Chemical Name :2-Methylnaphthalene-1,4-diyl diacetate

Calculated chemistry of [ 573-20-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.2
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.91
TPSA : 52.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 3.04
Log Po/w (WLOGP) : 3.0
Log Po/w (MLOGP) : 2.98
Log Po/w (SILICOS-IT) : 3.28
Consensus Log Po/w : 2.99

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.48
Solubility : 0.0851 mg/ml ; 0.00033 mol/l
Class : Soluble
Log S (Ali) : -3.81
Solubility : 0.04 mg/ml ; 0.000155 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.62
Solubility : 0.00624 mg/ml ; 0.0000242 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.84

Safety of [ 573-20-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 573-20-6 ]

Aryls

Chemical Structure| 93-28-7

[ 93-28-7 ]

4-Allyl-2-methoxyphenyl acetate

Similarity: 0.86

Chemical Structure| 5856-33-7

[ 5856-33-7 ]

Naphthalen-2-yl butyrate

Similarity: 0.84

Chemical Structure| 1642857-58-6

[ 1642857-58-6 ]

3-(Naphthalen-2-yloxy)propyl acrylate

Similarity: 0.84

Chemical Structure| 331711-99-0

[ 331711-99-0 ]

Naphthalene-1,8-diyl dibenzoate

Similarity: 0.84

Chemical Structure| 104-21-2

[ 104-21-2 ]

4-Methoxybenzyl acetate

Similarity: 0.81

Esters

Chemical Structure| 93-28-7

[ 93-28-7 ]

4-Allyl-2-methoxyphenyl acetate

Similarity: 0.86

Chemical Structure| 5856-33-7

[ 5856-33-7 ]

Naphthalen-2-yl butyrate

Similarity: 0.84

Chemical Structure| 1642857-58-6

[ 1642857-58-6 ]

3-(Naphthalen-2-yloxy)propyl acrylate

Similarity: 0.84

Chemical Structure| 331711-99-0

[ 331711-99-0 ]

Naphthalene-1,8-diyl dibenzoate

Similarity: 0.84

Chemical Structure| 2555-28-4

[ 2555-28-4 ]

7-Methoxy-4-methylcoumarin

Similarity: 0.83

; ;