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CAS 92636-36-7 1-(4-IODOPHENYL)PYRROLE molecular structure lightbox
CAS RN: 92636-36-7

1-(4-IODOPHENYL)PYRROLE

  • Product code: SSC-206459
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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: 1g
  • 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 92636-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

92636-36-7 / 1-(4-iodophenyl)pyrrole

Standard CAS: 92636-36-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92636-36-7
Multi CAS
Yes
Molecular Formula
C10H8In
Molecular Weight
269.080000
Exact Mass
268.970150
InChI
InChI=1S/C10H8IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKey
FMURNAZHVQDQQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.49
TPSA
4.93

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
3.7
Consensus LogP
3.17
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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