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CAS 2082-79-3 Stearyl 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate molecular structure lightbox
CAS RN: 2082-79-3

Stearyl 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate

  • Product code: SSC-097919
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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: 500g
  • Available purity: ≥97%
  • 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 2082-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

2082-79-3 / octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Standard CAS: 2082-79-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2082-79-3
Multi CAS
No
Molecular Formula
C35H62O3
Molecular Weight
530.900000
Exact Mass
530.469896
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
InChIKey
SSDSCDGVMJFTEQ-UHFFFAOYSA-N

Physical Properties

Physical Description
NKRA; Dry Powder, Liquid; Gas or Vapor; Pellets or Large Crystals; Liquid; Dry Powder; Liquid, Other Solid; Other Solid Irganox: White odorless solid; [HSDB] Solid; [IUCLID]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
20
H-bond acceptors
3
H-bond donors
1
Molar refractivity
164.33
TPSA
46.53

LogP / Solubility

WLOGP
10.72
MLOGP
9.48
XLogP3
13.8
Consensus LogP
11.33
Log S (ESOL)
-8.68
Class (ESOL)
Insoluble
Log S (Ali)
-11.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.66

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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