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CAS 96833-41-9 2-Chloro-4-MethoxypyriMidin-5-aMine molecular structure lightbox
CAS RN: 96833-41-9

2-Chloro-4-MethoxypyriMidin-5-aMine

  • Product code: SSC-212117
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 96833-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry

96833-41-9 / 2-chloro-4-methoxypyrimidin-5-amine

Standard CAS: 96833-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96833-41-9
Multi CAS
No
Molecular Formula
C5H6CLN3O
Molecular Weight
159.570000
Exact Mass
159.019940
InChI
InChI=1S/C5H6ClN3O/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChIKey
BTTZBKYSXZSBAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.01
TPSA
61.03

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.8
Consensus LogP
0.72
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
Soluble

ADME

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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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