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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
72768-94-6 / [2-(difluoromethoxy)phenyl]methanol
Basic Information
CAS
72768-94-6
Multi CAS
No
Molecular Formula
C8F2H8O2
Molecular Weight
174.140000
Exact Mass
174.049236
InChI
InChI=1S/C8H8F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8,11H,5H2
InChIKey
JJAUYEZYAXAERE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39
TPSA
29.46
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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6-(2-METHOXY-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE
- CAS RN: 72775-80-5
- Product Code: SSC-182268
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![CAS 72775-80-5 6-(2-METHOXY-PHENYL)-[1,3,5]TRIAZINE-2,4-DIAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72775-80-5.gif)
