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CAS 55646-01-0 2,2,5,7,8-PENTAMETHYLCHROMAN molecular structure lightbox
CAS RN: 55646-01-0

2,2,5,7,8-PENTAMETHYLCHROMAN

  • Product code: SSC-163568
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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 55646-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55646-01-0 / 2,2,5,7,8-pentamethyl-3,4-dihydrochromene

Standard CAS: 55646-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55646-01-0
Multi CAS
No
Molecular Formula
C14H20O
Molecular Weight
204.310000
Exact Mass
204.151415
InChI
InChI=1S/C14H20O/c1-9-8-10(2)12-6-7-14(4,5)15-13(12)11(9)3/h8H,6-7H2,1-5H3
InChIKey
XFZYPCNLVHSQTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.57
H-bond acceptors
1
Molar refractivity
63.68
TPSA
9.23

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.33

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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