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CAS 6807-17-6 4,4′-(1,3-Dimethylbutylidene)diphenol molecular structure lightbox
CAS RN: 6807-17-6

4,4′-(1,3-Dimethylbutylidene)diphenol

  • Product code: SSC-177783
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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: 100g
  • 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 6807-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

6807-17-6 / 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol

Standard CAS: 6807-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6807-17-6
Multi CAS
Yes
Molecular Formula
C18H22O2
Molecular Weight
270.400000
Exact Mass
270.161980
InChI
InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3
InChIKey
VHLLJTHDWPAQEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.12
TPSA
40.46

LogP / Solubility

WLOGP
4.45
MLOGP
3.92
XLogP3
4.7
Consensus LogP
4.36
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

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

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