CAS RN: 3135-19-1
2,4,6-Tris(4-butoxy-2-hydroxyphenyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-136688
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 | Shenzhen | Inquiry |
3135-19-1 / 2-[4,6-bis(4-butoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-butoxyphenol
Basic Information
CAS
3135-19-1
Multi CAS
No
Molecular Formula
C33H39N3O6
Molecular Weight
573.700000
Exact Mass
573.283886
InChI
InChI=1S/C33H39N3O6/c1-4-7-16-40-22-10-13-25(28(37)19-22)31-34-32(26-14-11-23(20-29(26)38)41-17-8-5-2)36-33(35-31)27-15-12-24(21-30(27)39)42-18-9-6-3/h10-15,19-21,37-39H,4-9,16-18H2,1-3H3
InChIKey
BOYPAYBWCQZOGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.36
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
3
Molar refractivity
162.34
TPSA
127.05
LogP / Solubility
WLOGP
7.53
MLOGP
6.67
XLogP3
7.6
Consensus LogP
7.27
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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