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CAS 1638767-50-6 7-(benzenesulfonyl)-6-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1638767-50-6

7-(benzenesulfonyl)-6-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidine

  • Product code: SSC-071411
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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 1638767-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1638767-50-6 / 7-(benzenesulfonyl)-6-bromo-2-chloropyrrolo[2,3-d]pyrimidine

Standard CAS: 1638767-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638767-50-6
Multi CAS
No
Molecular Formula
C12H7BrClN3O2S
Molecular Weight
372.630000
Exact Mass
370.913090
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CN=C(N=C32)Cl)Br
InChI
InChI=1S/C12H7BrClN3O2S/c13-10-6-8-7-15-12(14)16-11(8)17(10)20(18,19)9-4-2-1-3-5-9/h1-7H
InChIKey
OHGPCNWUKIEFJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
79.26
TPSA
64.85

LogP / Solubility

WLOGP
3.08
MLOGP
2.73
XLogP3
3.8
Consensus LogP
3.2
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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