[email protected]
CAS 16094-31-8 5-(1,1-dimethylethyl)salicylic acid molecular structure lightbox
CAS RN: 16094-31-8

5-(1,1-dimethylethyl)salicylic acid

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg In stock Inquiry
Batchno.20250418 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250714 1g In stock Inquiry
Batchno.20260529 250mg In stock Inquiry
Batchno.20250302 5g In stock Inquiry
  • Product code: SSC-068678
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16094-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry

16094-31-8 / 5-tert-butyl-2-hydroxybenzoic acid

Standard CAS: 16094-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16094-31-8
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKey
XAICWTLLSRXZPB-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
2
H-bond donors
2
Molar refractivity
53.77
TPSA
57.53

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
4.1
Consensus LogP
2.86
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us