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CAS 4276-85-1 2,4,6-Triisopropylphenylacetic acid molecular structure lightbox
CAS RN: 4276-85-1

2,4,6-Triisopropylphenylacetic acid

  • Product code: SSC-151031
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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 4276-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4276-85-1 / 2-[2,4,6-tri(propan-2-yl)phenyl]acetic acid

Standard CAS: 4276-85-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4276-85-1
Multi CAS
Yes
Molecular Formula
C17H26O2
Molecular Weight
262.400000
Exact Mass
262.193280
InChI
InChI=1S/C17H26O2/c1-10(2)13-7-14(11(3)4)16(9-17(18)19)15(8-13)12(5)6/h7-8,10-12H,9H2,1-6H3,(H,18,19)
InChIKey
GDFWAOXUDPFOLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.05
TPSA
37.3

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
4.8
Consensus LogP
4.54
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly 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)
-1

Drug-likeness / Medicinal Chemistry

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

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