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CAS 5145-71-1 1-(4-METHOXYPHENYL)-1H-PYRROLE molecular structure lightbox
CAS RN: 5145-71-1

1-(4-METHOXYPHENYL)-1H-PYRROLE

  • Product code: SSC-158291
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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: ＞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 5145-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

5145-71-1 / 1-(4-methoxyphenyl)pyrrole

Standard CAS: 5145-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5145-71-1
Multi CAS
Yes
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c1-13-11-6-4-10(5-7-11)12-8-2-3-9-12/h2-9H,1H3
InChIKey
WYFMHHMFUMBCGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.32
TPSA
14.16

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
3.1
Consensus LogP
2.59
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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