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CAS 38175-43-8 4-(Pyrrolidin-3-yl)phenol hydrobromide molecular structure lightbox
CAS RN: 38175-43-8

4-(Pyrrolidin-3-yl)phenol hydrobromide

  • Product code: SSC-145699
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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: 0.1g
  • 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 38175-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

38175-43-8 / 4-pyrrolidin-3-ylphenol;hydrobromide

Standard CAS: 38175-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38175-43-8
Multi CAS
No
Molecular Formula
BC10H14ORn
Molecular Weight
244.130000
Exact Mass
243.025880
InChI
InChI=1S/C10H13NO.BrH/c12-10-3-1-8(2-4-10)9-5-6-11-7-9;/h1-4,9,11-12H,5-7H2;1H
InChIKey
SPKXTLWWFWSGLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.66
TPSA
32.26

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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