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CAS 24391-41-1 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile molecular structure lightbox
CAS RN: 24391-41-1

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Product code: SSC-118755
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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: 5g
  • Available purity: ≥95%
  • 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 24391-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

24391-41-1 / 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Standard CAS: 24391-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24391-41-1
Multi CAS
No
Molecular Formula
C7H3ClN4
Molecular Weight
178.580000
Exact Mass
178.004624
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)C#N
InChI
InChI=1S/C7H3ClN4/c8-6-5-4(1-9)2-10-7(5)12-3-11-6/h2-3H,(H,10,11,12)
InChIKey
NEWCOPCSNFUQQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.61
TPSA
65.36

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.76

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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