[email protected]
CAS 3549-23-3 Methyl p-tert-butylphenylacetate molecular structure lightbox
CAS RN: 3549-23-3

Methyl p-tert-butylphenylacetate

Product Availability

Choose a grade to view its available package options.

11 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 100g In stock Inquiry
Batchno.20250923 10g Out of stock Inquiry
Batchno.20260514 25g In stock Inquiry
Batchno.20250620 500g Out of stock Inquiry
Batchno.20250514 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250220 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250112 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251004 500g In stock Shanghai, Tianjin Inquiry
Batchno.20251125 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-142504
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: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 3549-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

3549-23-3 / methyl 2-(4-tert-butylphenyl)acetate

Standard CAS: 3549-23-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3549-23-3
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChIKey
HXVTYMWVMVKVTF-UHFFFAOYSA-N

Physical Properties

Boiling Point
106.00 to 107.00 °C. @ 2.00 mm Hg
Density
0.995-1.003
Physical Description
Colourless oily liquid; sweet, somewhat woody-camphoraceous odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.86
TPSA
26.3

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
3.5
Consensus LogP
2.86
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us