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CAS 20734-67-2 5-Aminoresorcinol molecular structure lightbox
CAS RN: 20734-67-2

5-Aminoresorcinol

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20734-67-2
  • Purity/Analytical Methods: >99.0%
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20734-67-2 / 5-aminobenzene-1,3-diol

Standard CAS: 20734-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20734-67-2
Multi CAS
No
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
SMILES
C1=C(C=C(C=C1O)O)N
InChI
InChI=1S/C6H7NO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H,7H2
InChIKey
PDCMTKJRBAZZHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.18
TPSA
66.48

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
-0.2
Consensus LogP
0.36
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3

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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