CAS RN: 421546-91-0
Phenol, 4-(1,1-dimethylethyl)-2,6-bis(methoxymethyl)-
- Product code: SSC-150477
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
421546-91-0 / 4-tert-butyl-2,6-bis(methoxymethyl)phenol
Basic Information
CAS
421546-91-0
Multi CAS
No
Molecular Formula
C14H22O3
Molecular Weight
238.320000
Exact Mass
238.156895
InChI
InChI=1S/C14H22O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6-7,15H,8-9H2,1-5H3
InChIKey
SHDBJOYDLRRTRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.23
TPSA
38.69
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.06
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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