Home Cart 0 Sign in  
X

[ CAS No. 10502-44-0 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 10502-44-0
Chemical Structure| 10502-44-0
Chemical Structure| 10502-44-0
Structure of 10502-44-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 10502-44-0 ]

Related Doc. of [ 10502-44-0 ]

Alternatived Products of [ 10502-44-0 ]

Product Details of [ 10502-44-0 ]

CAS No. :10502-44-0 MDL No. :MFCD00004233
Formula : C9H10O4 Boiling Point : -
Linear Structure Formula :- InChI Key :ITECRQOOEQWFPE-UHFFFAOYSA-N
M.W :182.17 Pubchem ID :112056
Synonyms :

Calculated chemistry of [ 10502-44-0 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.64
TPSA : 66.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.22
Log Po/w (XLOGP3) : 0.63
Log Po/w (WLOGP) : 0.49
Log Po/w (MLOGP) : 0.52
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 0.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.51
Solubility : 5.63 mg/ml ; 0.0309 mol/l
Class : Very soluble
Log S (Ali) : -1.61
Solubility : 4.5 mg/ml ; 0.0247 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.37
Solubility : 7.74 mg/ml ; 0.0425 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.8

Safety of [ 10502-44-0 ]

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 [ 10502-44-0 ]

* 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 [ 10502-44-0 ]
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 10502-44-0 ]

Aryls

Chemical Structure| 184901-84-6

[ 184901-84-6 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate

Similarity: 0.94

Chemical Structure| 1198-84-1

[ 1198-84-1 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid

Similarity: 0.94

Chemical Structure| 69322-01-6

[ 69322-01-6 ]

Sodium 2-hydroxy-2-(4-hydroxyphenyl)acetate

Similarity: 0.92

Chemical Structure| 6328-74-1

[ 6328-74-1 ]

4-Phenoxyphenylacetic Acid

Similarity: 0.82

Chemical Structure| 1798-09-0

[ 1798-09-0 ]

3-Methoxyphenylacetic acid

Similarity: 0.82

Ethers

Chemical Structure| 6328-74-1

[ 6328-74-1 ]

4-Phenoxyphenylacetic Acid

Similarity: 0.82

Chemical Structure| 1798-09-0

[ 1798-09-0 ]

3-Methoxyphenylacetic acid

Similarity: 0.82

Chemical Structure| 26164-26-1

[ 26164-26-1 ]

(S)-alpha-Methoxyphenylacetic Acid

Similarity: 0.81

Chemical Structure| 93885-41-7

[ 93885-41-7 ]

5-Methoxy-2,3-dihydrobenzofuran-2-carboxylic acid

Similarity: 0.81

Chemical Structure| 6547-53-1

[ 6547-53-1 ]

2-(4-(Benzyloxy)phenyl)acetic acid

Similarity: 0.80

Alcohols

Chemical Structure| 184901-84-6

[ 184901-84-6 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate

Similarity: 0.94

Chemical Structure| 1198-84-1

[ 1198-84-1 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid

Similarity: 0.94

Chemical Structure| 69322-01-6

[ 69322-01-6 ]

Sodium 2-hydroxy-2-(4-hydroxyphenyl)acetate

Similarity: 0.92

Chemical Structure| 69999-15-1

[ 69999-15-1 ]

2-(2,3-Dihydrobenzofuran-5-yl)-2-hydroxyacetic acid

Similarity: 0.91

Chemical Structure| 611-71-2

[ 611-71-2 ]

(R)-2-Hydroxy-2-phenylacetic acid

Similarity: 0.81

Carboxylic Acids

Chemical Structure| 184901-84-6

[ 184901-84-6 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate

Similarity: 0.94

Chemical Structure| 1198-84-1

[ 1198-84-1 ]

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid

Similarity: 0.94

Chemical Structure| 69999-15-1

[ 69999-15-1 ]

2-(2,3-Dihydrobenzofuran-5-yl)-2-hydroxyacetic acid

Similarity: 0.91

Chemical Structure| 6328-74-1

[ 6328-74-1 ]

4-Phenoxyphenylacetic Acid

Similarity: 0.82

Chemical Structure| 1798-09-0

[ 1798-09-0 ]

3-Methoxyphenylacetic acid

Similarity: 0.82