Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 1g, 5g, 10g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
187393-00-6 / 5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
Basic Information
CAS
187393-00-6
Multi CAS
No
Molecular Formula
C38H49N3O5
Molecular Weight
627.800000
Exact Mass
627.367222
SMILES
CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
InChI
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
InChIKey
XVAMCHGMPYWHNL-UHFFFAOYSA-N
Physical Properties
Boiling Point
>400
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
2
Molar refractivity
183.62
TPSA
106.82
LogP / Solubility
WLOGP
9.48
MLOGP
8.4
XLogP3
10.4
Consensus LogP
9.43
Log S (ESOL)
-8.9
Class (ESOL)
Insoluble
Log S (Ali)
-11.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 144 of 144 companies. For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 97 of 100 companies (only 3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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