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CAS 145073-32-1 2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER molecular structure lightbox
CAS RN: 145073-32-1

2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 1g In stock Inquiry
Batchno.20250122 25g In stock Inquiry
Batchno.20251226 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS145073-32-1
  • Purity/Analytical Methods: >99.0%
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145073-32-1 / 2-hydroxyethyl 2,4-dihydroxybenzoate

Standard CAS: 145073-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145073-32-1
Multi CAS
No
Molecular Formula
C9H10O5
Molecular Weight
198.170000
Exact Mass
198.052823
SMILES
C1=CC(=C(C=C1O)O)C(=O)OCCO
InChI
InChI=1S/C9H10O5/c10-3-4-14-9(13)7-2-1-6(11)5-8(7)12/h1-2,5,10-12H,3-4H2
InChIKey
GYMSXVSHWCOJEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
47.14
TPSA
86.99

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
1.3
Consensus LogP
0.59
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.75

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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