Home Cart 0 Sign in  

[ CAS No. 567-61-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 567-61-3
Chemical Structure| 567-61-3
Structure of 567-61-3 * 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 [ 567-61-3 ]

Related Doc. of [ 567-61-3 ]

Alternatived Products of [ 567-61-3 ]
Product Citations

Product Details of [ 567-61-3 ]

CAS No. :567-61-3 MDL No. :MFCD01194284
Formula : C8H8O3 Boiling Point : -
Linear Structure Formula :- InChI Key :HCJMNOSIAGSZBM-UHFFFAOYSA-N
M.W : 152.15 Pubchem ID :11279
Synonyms :
Chemical Name :2-Hydroxy-6-methylbenzoic acid

Calculated chemistry of [ 567-61-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.39
TPSA : 57.53 Ų

Pharmacokinetics

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) : -5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.76
Log Po/w (XLOGP3) : 1.88
Log Po/w (WLOGP) : 1.4
Log Po/w (MLOGP) : 1.32
Log Po/w (SILICOS-IT) : 1.19
Consensus Log Po/w : 1.31

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.31
Solubility : 0.753 mg/ml ; 0.00495 mol/l
Class : Soluble
Log S (Ali) : -2.71
Solubility : 0.297 mg/ml ; 0.00195 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.57
Solubility : 4.13 mg/ml ; 0.0272 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 567-61-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 567-61-3 ]

* 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.

  • Downstream synthetic route of [ 567-61-3 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 567-61-3 ]

Aryls

Chemical Structure| 3786-46-7

[ 3786-46-7 ]

3,6-Dihydroxyphthalic acid

Similarity: 1.00

Chemical Structure| 603-80-5

[ 603-80-5 ]

3-Hydroxy-2-methylbenzoic acid

Similarity: 0.96

Chemical Structure| 33528-09-5

[ 33528-09-5 ]

Methyl 2-hydroxy-6-methylbenzoate

Similarity: 0.92

Chemical Structure| 636-94-2

[ 636-94-2 ]

2-Hydroxyterephthalic acid

Similarity: 0.91

Chemical Structure| 578-22-3

[ 578-22-3 ]

5-Hydroxy-2-methylbenzoic acid

Similarity: 0.91

Carboxylic Acids

Chemical Structure| 3786-46-7

[ 3786-46-7 ]

3,6-Dihydroxyphthalic acid

Similarity: 1.00

Chemical Structure| 603-80-5

[ 603-80-5 ]

3-Hydroxy-2-methylbenzoic acid

Similarity: 0.96

Chemical Structure| 636-94-2

[ 636-94-2 ]

2-Hydroxyterephthalic acid

Similarity: 0.91

Chemical Structure| 578-22-3

[ 578-22-3 ]

5-Hydroxy-2-methylbenzoic acid

Similarity: 0.91

Chemical Structure| 610-35-5

[ 610-35-5 ]

4-Hydroxyphthalic acid

Similarity: 0.91

; ;