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Chemistry
Organic Building Blocks
Aryls
3,5-Dichloro-4-methoxybenzoic acid
Chemistry
Organic Building Blocks
Aryls
Chlorides Ethers Carboxylic Acids Benzene Compounds

[ CAS No. 37908-97-7 ]

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 37908-97-7
Chemical Structure| 37908-97-7
Structure of 37908-97-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 37908-97-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 37908-97-7 ]

SDS Specification
Alternatived Products of [ 37908-97-7 ]

Product Details of [ 37908-97-7 ]

CAS No. :37908-97-7 MDL No. :MFCD00210404
Formula : C8H6Cl2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :XSYZTYQXKIXPRC-UHFFFAOYSA-N
M.W :221.04 Pubchem ID :721135
Synonyms :

Calculated chemistry of [ 37908-97-7 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.91
TPSA : 46.53 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) : -5.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 3.01
Log Po/w (WLOGP) : 2.7
Log Po/w (MLOGP) : 2.48
Log Po/w (SILICOS-IT) : 2.51
Consensus Log Po/w : 2.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.32
Solubility : 0.107 mg/ml ; 0.000483 mol/l
Class : Soluble
Log S (Ali) : -3.65
Solubility : 0.0493 mg/ml ; 0.000223 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.161 mg/ml ; 0.000728 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.47

Safety of [ 37908-97-7 ]

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:

Application In Synthesis of [ 37908-97-7 ]

* 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 [ 37908-97-7 ]
  • Downstream synthetic route of [ 37908-97-7 ]

[ 37908-97-7 ] Synthesis Path-Upstream   1~17

  • 1
  • [ 124-38-9 ]
  • [ 19240-91-6 ]
  • [ 37908-97-7 ]
Reference： [1] European Journal of Organic Chemistry, 2006, # 19, p. 4398 - 4404
  • 2
  • [ 3336-41-2 ]
  • [ 74-88-4 ]
  • [ 37908-97-7 ]
Reference： [1] Journal of Medicinal Chemistry, 2015, vol. 58, # 11, p. 4573 - 4580
[2] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 253 - 266
  • 3
  • [ 124-38-9 ]
  • [ 1984-65-2 ]
  • [ 37908-97-7 ]
  • [ 115382-33-7 ]
Reference： [1] European Journal of Organic Chemistry, 2006, # 19, p. 4398 - 4404
  • 4
  • [ 24295-27-0 ]
  • [ 37908-97-7 ]
Reference： [1] Phytochemistry, 1996, vol. 42, # 6, p. 1699 - 1701
[2] Journal of Organic Chemistry, 2008, vol. 73, # 5, p. 1661 - 1681
  • 5
  • [ 100-09-4 ]
  • [ 37908-97-7 ]
Reference： [1] Journal of Chemical Research - Part S, 1999, # 1, p. 64 - 65
[2] Journal of the Chemical Society, 1927, p. 2869
  • 6
  • [ 428458-98-4 ]
  • [ 37908-97-7 ]
Reference： [1] Journal of the Chemical Society, 1927, p. 2869
  • 7
  • [ 4892-23-3 ]
  • [ 37908-97-7 ]
Reference： [1] Chemosphere, 2001, vol. 44, # 7, p. 1603 - 1616
  • 8
  • [ 67341-33-7 ]
  • [ 37908-97-7 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39
  • 9
  • [ 41727-59-7 ]
  • [ 37908-97-7 ]
Reference： [1] Journal of the Indian Chemical Society, 1986, vol. 63, p. 1055 - 1059
  • 10
  • [ 2432-12-4 ]
  • [ 37908-97-7 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39
  • 11
  • [ 100-09-4 ]
  • [ 37908-97-7 ]
  • [ 118-75-2 ]
Reference： [1] Zeitschrift fuer Chemie, 1866, p. 366
  • 12
  • [ 7647-01-0 ]
  • [ 428458-98-4 ]
  • [ 37908-97-7 ]
  • [ 62-53-3 ]
Reference： [1] Journal of the Chemical Society, 1927, p. 2869
  • 13
  • [ 67341-33-7 ]
  • [ 7697-37-2 ]
  • [ 37908-97-7 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39
  • 14
  • [ 127-09-3 ]
  • [ 64-19-7 ]
  • [ 100-09-4 ]
  • [ 37908-97-7 ]
Reference： [1] Journal of the Chemical Society, 1927, p. 2869
  • 15
  • [ 37908-97-7 ]
  • [ 3337-59-5 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39
  • 16
  • [ 37908-97-7 ]
  • [ 3336-41-2 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39
[2] Journal of the Chemical Society, 1923, vol. 123, p. 1427
[3] Chemosphere, 2001, vol. 44, # 7, p. 1603 - 1616
  • 17
  • [ 37908-97-7 ]
  • [ 10034-85-2 ]
  • [ 3336-41-2 ]
Reference： [1] Gazzetta Chimica Italiana, 1899, vol. 29 II, p. 39

Tags: 37908-97-7 synthesis path| 37908-97-7 SDS| 37908-97-7 COA| 37908-97-7 purity| 37908-97-7 application| 37908-97-7 NMR| 37908-97-7 COA| 37908-97-7 structure

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