![CAS 77-62-3 2,2′-Methylenebis[6-(1-methylcyclohexyl)-p-cresol] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1301-jpgcontextbwfzdgvyfhjvb3r8mzm2otf8aw1hz2uvanblz3xommevagizlzg5mze0mjg1mziyntqvttezmdeuanbnfgzlmtuxowy0n2e4mwqwzgfhzgrhntiyzwi0n2y4y2fjnjy3n2mwnjvjywmzotzlzddingvintrlnmnjnjm2mgq.jpeg)
CAS RN: 77-62-3
2,2′-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
- Product code: SSC-186472
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: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
77-62-3 / 2-[[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
Basic Information
CAS
77-62-3
Multi CAS
Yes
Molecular Formula
C29H40O2
Molecular Weight
420.600000
Exact Mass
420.302831
InChI
InChI=1S/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3
InChIKey
PHXLONCQBNATSL-UHFFFAOYSA-N
Physical Properties
Physical Description
White to cream-colored powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
129.37
TPSA
40.46
LogP / Solubility
WLOGP
7.75
MLOGP
6.85
XLogP3
10
Consensus LogP
8.2
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
