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CAS 34781-86-7 4-AMINORESORCINOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 34781-86-7

4-AMINORESORCINOL HYDROCHLORIDE

  • Product code: SSC-141386
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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 34781-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

34781-86-7 / 4-aminobenzene-1,3-diol;hydrochloride

Standard CAS: 34781-86-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34781-86-7
Multi CAS
Yes
Molecular Formula
C6H8CLNO2
Molecular Weight
161.580000
Exact Mass
161.024356
InChI
InChI=1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H
InChIKey
LLJMPRKYLLJAEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.43
TPSA
66.48

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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