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[ CAS No. 90213-67-5 ] 2,4-Dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

Cat. No.: A116651
Chemical Structure| 90213-67-5
Chemical Structure| 90213-67-5
Structure of 90213-67-5 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $5.00 Inquiry Inquiry
97% 250mg $6.00 Inquiry Inquiry
97% 1g $16.00 Inquiry Inquiry
97% 5g $38.00 Inquiry Inquiry
97% 10g $70.00 Inquiry Inquiry
97% 25g $156.00 Inquiry Inquiry
97% 100g $623.00 Inquiry Inquiry

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Product Details of [ 90213-67-5 ]

CAS No. :90213-67-5 MDL No. :MFCD13189421
Formula : C7H5Cl2N3 Boiling Point : -
Linear Structure Formula :- InChI Key :WIROGLUDZOMAPT-UHFFFAOYSA-N
M.W : 202.04 Pubchem ID :25230953
Synonyms :

Calculated chemistry of [ 90213-67-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.81
TPSA : 30.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.38
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 2.28
Log Po/w (MLOGP) : 1.7
Log Po/w (SILICOS-IT) : 2.2
Consensus Log Po/w : 2.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.25
Solubility : 0.114 mg/ml ; 0.000565 mol/l
Class : Soluble
Log S (Ali) : -2.83
Solubility : 0.298 mg/ml ; 0.00147 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.34
Solubility : 0.0928 mg/ml ; 0.000459 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 90213-67-5 ]

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 [ 90213-67-5 ]

* 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 [ 90213-67-5 ]
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