Home Cart 0 Sign in  

[ CAS No. 610-02-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 610-02-6
Chemical Structure| 610-02-6
Structure of 610-02-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 610-02-6 ]

Related Doc. of [ 610-02-6 ]

Alternatived Products of [ 610-02-6 ]

Product Details of [ 610-02-6 ]

CAS No. :610-02-6 MDL No. :MFCD00002447
Formula : C7H6O5 Boiling Point : -
Linear Structure Formula :- InChI Key :BRRSNXCXLSVPFC-UHFFFAOYSA-N
M.W : 170.12 Pubchem ID :11874
Synonyms :

Calculated chemistry of [ 610-02-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 39.47
TPSA : 97.99 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 : Yes
Log Kp (skin permeation) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.93
Log Po/w (XLOGP3) : 1.05
Log Po/w (WLOGP) : 0.5
Log Po/w (MLOGP) : -0.16
Log Po/w (SILICOS-IT) : -0.2
Consensus Log Po/w : 0.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.86
Solubility : 2.35 mg/ml ; 0.0138 mol/l
Class : Very soluble
Log S (Ali) : -2.7
Solubility : 0.341 mg/ml ; 0.002 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.04
Solubility : 155.0 mg/ml ; 0.91 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.36

Safety of [ 610-02-6 ]

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 [ 610-02-6 ]

* 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.

  • Upstream synthesis route of [ 610-02-6 ]
  • Downstream synthetic route of [ 610-02-6 ]

[ 610-02-6 ] Synthesis Path-Upstream   1~13

  • 1
  • [ 89-86-1 ]
  • [ 610-02-6 ]
Reference: [1] Chemische Berichte, 1967, vol. 100, p. 3077 - 3083
[2] Helvetica Chimica Acta, 2010, vol. 93, # 6, p. 1067 - 1080
  • 2
  • [ 87-66-1 ]
  • [ 610-02-6 ]
Reference: [1] Proceedings - Indian Academy of Sciences, Section A, 1942, vol. <A> 15, p. 1,3
[2] Journal of the Chemical Society, 1931, p. 2542,2546
  • 3
  • [ 87-66-1 ]
  • [ 610-02-6 ]
  • [ 27163-60-6 ]
Reference: [1] Monatshefte fuer Chemie, 1880, vol. 1, p. 468
  • 4
  • [ 28752-90-1 ]
  • [ 610-02-6 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2000, vol. 39, # 11, p. 879 - 882
  • 5
  • [ 124-38-9 ]
  • [ 87-66-1 ]
  • [ 610-02-6 ]
Reference: [1] Journal of the Chemical Society, 1951, p. 1318,1323
  • 6
  • [ 4435-88-5 ]
  • [ 610-02-6 ]
Reference: [1] Yakugaku Zasshi, 1939, vol. 59 169;, p. dtsch. Ref. S. 57[2] Chem.Abstr., 1939, p. 4973
  • 7
  • [ 634-36-6 ]
  • [ 298-14-6 ]
  • [ 610-02-6 ]
Reference: [1] Journal of Organic Chemistry, 1966, vol. 31, p. 1883 - 1887
  • 8
  • [ 298-14-6 ]
  • [ 87-66-1 ]
  • [ 610-02-6 ]
Reference: [1] Tetrahedron, 1967, vol. 23, p. 2829 - 2847
  • 9
  • [ 298-81-7 ]
  • [ 610-02-6 ]
Reference: [1] Chemische Berichte, 1911, vol. 44, p. 3325,3326
  • 10
  • [ 122-39-4 ]
  • [ 87-66-1 ]
  • [ 610-02-6 ]
Reference: [1] Monatshefte fuer Chemie, 1917, vol. 38, p. 84[2] Monatshefte fuer Chemie, 1922, vol. 43, p. 61
  • 11
  • [ 610-02-6 ]
  • [ 77-78-1 ]
  • [ 5653-46-3 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 12, p. 3319 - 3322
[2] Journal of the Chemical Society, 1938, p. 1602,1605
  • 12
  • [ 67-56-1 ]
  • [ 610-02-6 ]
  • [ 77-78-1 ]
  • [ 573-11-5 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1940, vol. <2> 154, p. 157,195
  • 13
  • [ 610-02-6 ]
  • [ 108-95-2 ]
  • [ 31127-54-5 ]
Reference: [1] Archiv der Pharmazie, 2011, vol. 344, # 2, p. 71 - 77
[2] Journal of Enzyme Inhibition and Medicinal Chemistry, 2011, vol. 26, # 3, p. 449 - 452
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 610-02-6 ]

Aryls

Chemical Structure| 303-38-8

[ 303-38-8 ]

2,3-Dihydroxybenzoic acid

Similarity: 0.96

Chemical Structure| 19829-72-2

[ 19829-72-2 ]

2,3-Dihydroxyterephthalic acid

Similarity: 0.96

Chemical Structure| 83511-07-3

[ 83511-07-3 ]

3,7-Dihydroxy-2-naphthoic acid

Similarity: 0.89

Chemical Structure| 89-56-5

[ 89-56-5 ]

5-Methylsalicylic acid

Similarity: 0.89

Chemical Structure| 619-12-5

[ 619-12-5 ]

4-Formyl-3-hydroxybenzoic acid

Similarity: 0.89

Carboxylic Acids

Chemical Structure| 303-38-8

[ 303-38-8 ]

2,3-Dihydroxybenzoic acid

Similarity: 0.96

Chemical Structure| 19829-72-2

[ 19829-72-2 ]

2,3-Dihydroxyterephthalic acid

Similarity: 0.96

Chemical Structure| 83511-07-3

[ 83511-07-3 ]

3,7-Dihydroxy-2-naphthoic acid

Similarity: 0.89

Chemical Structure| 89-56-5

[ 89-56-5 ]

5-Methylsalicylic acid

Similarity: 0.89

Chemical Structure| 619-12-5

[ 619-12-5 ]

4-Formyl-3-hydroxybenzoic acid

Similarity: 0.89