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CAS 943736-58-1 2-AMINO-4-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE molecular structure lightbox
CAS RN: 943736-58-1

2-AMINO-4-CHLORO-5H-PYRROLO[3,2-D]PYRIMIDINE

  • Product code: SSC-209098
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 943736-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

943736-58-1 / 4-chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

Standard CAS: 943736-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943736-58-1
Multi CAS
No
Molecular Formula
C6H5CLN4
Molecular Weight
168.580000
Exact Mass
168.020274
InChI
InChI=1S/C6H5ClN4/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H,(H2,8,10,11)
InChIKey
NCSPBRYDQWLYLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
67.59

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.9

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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