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CAS 2219-84-3 2-METHYL-4-TERT-OCTYLPHENOL molecular structure lightbox
CAS RN: 2219-84-3

2-METHYL-4-TERT-OCTYLPHENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106715
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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 2219-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2219-84-3 / 2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenol

Standard CAS: 2219-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2219-84-3
Multi CAS
No
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
SMILES
CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)O
InChI
InChI=1S/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
InChIKey
DYKCNMUCTREDMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.94
TPSA
20.23

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
5.3
Consensus LogP
4.53
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-0.93

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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