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CAS 42934-01-0 (2-Hydroxy-1,4-phenylene)dimethanol molecular structure lightbox
CAS RN: 42934-01-0

(2-Hydroxy-1,4-phenylene)dimethanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINH887433
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42934-01-0 / 2,5-bis(hydroxymethyl)phenol

Standard CAS: 42934-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42934-01-0
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,9-11H,4-5H2
InChIKey
VOQMPYGJQPQGQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.95
TPSA
60.69

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.39

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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