![CAS 1373116-00-7 2,3-Difluoro-4-[(trans-4-propylcyclohexyl)methoxy]anisole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4909-jpgcontextbwfzdgvyfhjvb3r8mjy1mtd8aw1hz2uvanblz3xozjivadg3lzg5mzazndc3mti1ndivrdq5mdkuanbnfgvjngq2zdbmnzm3nwm3mgmwmziznjblngm3otk1nwnlm2fizgewyjdknji2zdrhnmu2mdc5m2u1m2nlzji2y2e.jpeg)
CAS RN: 1373116-00-7
2,3-Difluoro-4-[(trans-4-propylcyclohexyl)methoxy]anisole
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-046787
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1373116-00-7 / 2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene
Basic Information
CAS
1373116-00-7
Multi CAS
No
Molecular Formula
C17H24F2O2
Molecular Weight
298.400000
Exact Mass
298.174436
SMILES
CCCC1CCC(CC1)COC2=C(C(=C(C=C2)OC)F)F
InChI
InChI=1S/C17H24F2O2/c1-3-4-12-5-7-13(8-6-12)11-21-15-10-9-14(20-2)16(18)17(15)19/h9-10,12-13H,3-8,11H2,1-2H3
InChIKey
VPEMEZFAMQJFFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
78.76
TPSA
18.46
LogP / Solubility
WLOGP
4.96
MLOGP
4.38
XLogP3
5.8
Consensus LogP
5.05
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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