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CAS 146255-66-5 (RS)-3,5-DHPG molecular structure lightbox
CAS RN: 146255-66-5

(RS)-3,5-DHPG

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS146255-66-5
  • Purity/Analytical Methods: >99.0%
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146255-66-5 / 2-amino-2-(3,5-dihydroxyphenyl)acetic acid

Standard CAS: 146255-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146255-66-5
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
SMILES
C1=C(C=C(C=C1O)O)C(C(=O)O)N
InChI
InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)
InChIKey
HOOWCUZPEFNHDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
44.34
TPSA
103.78

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
-2.4
Consensus LogP
-0.69
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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