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CAS 950-99-2 2,2,5,7,8-PENTAMETHYL-6-CHROMANOL molecular structure lightbox
CAS RN: 950-99-2

2,2,5,7,8-PENTAMETHYL-6-CHROMANOL

  • Product code: SSC-210209
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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: 5g
  • 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 950-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

950-99-2 / 2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-ol

Standard CAS: 950-99-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
950-99-2
Multi CAS
Yes
Molecular Formula
C14H20O2
Molecular Weight
220.310000
Exact Mass
220.146330
InChI
InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
InChIKey
SEBPXHSZHLFWRL-UHFFFAOYSA-N

Physical Properties

Melting Point
94 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.35
TPSA
29.46

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.63

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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