[email protected]
CAS 85954-11-6 4,4′-Bis(2,3-epoxypropoxy)-3,3′,5,5′-tetramethylbiphenyl molecular structure lightbox
CAS RN: 85954-11-6

4,4′-Bis(2,3-epoxypropoxy)-3,3′,5,5′-tetramethylbiphenyl

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20260415 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250501 500g In stock Shanghai Inquiry
Batchno.20250325 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS85954-11-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85954-11-6 / 2-[[4-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-2,6-dimethylphenoxy]methyl]oxirane

Standard CAS: 85954-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85954-11-6
Multi CAS
Yes
Molecular Formula
C22H26O4
Molecular Weight
354.400000
Exact Mass
354.183109
InChI
InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
InChIKey
HRSLYNJTMYIRHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
101.3
TPSA
43.52

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
4.3
Consensus LogP
4.03
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us