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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
200956-91-8 / 1-phenylmethoxy-4-(trifluoromethoxy)benzene
Basic Information
CAS
200956-91-8
Multi CAS
No
Molecular Formula
C14H11F3O2
Molecular Weight
268.230000
Exact Mass
268.071114
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C14H11F3O2/c15-14(16,17)19-13-8-6-12(7-9-13)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
DLBIMYYCJAYTRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
63.9
TPSA
18.46
LogP / Solubility
WLOGP
4.16
MLOGP
3.67
XLogP3
5
Consensus LogP
4.28
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
AC-ARG-TYR-TYR-ARG-ILE-LYS-NH2
- CAS RN: 200959-48-4
- Product Code: starshine_CAS200959-48-4
- Purity/Analytical method: >99.0%
-
-
2,6-ANS
- CAS RN: 20096-53-1
- Product Code: starshine_CAS20096-53-1
- Purity/Analytical method: >99.0%
-
-
