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CAS 23408-05-1 Benzoic acid, 2-hydroxy-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 23408-05-1

Benzoic acid, 2-hydroxy-, 1,1-dimethylethyl ester

  • Product code: SSC-113145
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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: 1g
  • 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 23408-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

23408-05-1 / tert-butyl 2-hydroxybenzoate

Standard CAS: 23408-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23408-05-1
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC(C)(C)OC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3
InChIKey
QAZYGHLQQPTQAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.28
TPSA
46.53

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
3.3
Consensus LogP
2.57
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.24

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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