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CAS 1357086-92-0 2,4-Dichloro-6-Methyl-6H-pyrrolo[3,4-d]pyriMidine molecular structure lightbox
CAS RN: 1357086-92-0

2,4-Dichloro-6-Methyl-6H-pyrrolo[3,4-d]pyriMidine

  • Product code: SSC-044259
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1357086-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shanghai Inquiry

1357086-92-0 / 2,4-dichloro-6-methylpyrrolo[3,4-d]pyrimidine

Standard CAS: 1357086-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357086-92-0
Multi CAS
No
Molecular Formula
C7H5Cl2N3
Molecular Weight
202.040000
Exact Mass
200.986053
SMILES
CN1C=C2C(=C1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-12-2-4-5(3-12)10-7(9)11-6(4)8/h2-3H,1H3
InChIKey
NFNRZFJLXGDBDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
48.53
TPSA
30.71

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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