CAS RN: 2316733-82-9
2,2′-difluoro-3,3′-dimethoxy-1,1′-biphenyl
- Product code: SSC-112721
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2316733-82-9 / 2-fluoro-1-(2-fluoro-3-methoxyphenyl)-3-methoxybenzene
Basic Information
CAS
2316733-82-9
Multi CAS
No
Molecular Formula
C14H12F2O2
Molecular Weight
250.240000
Exact Mass
250.080536
SMILES
COC1=CC=CC(=C1F)C2=C(C(=CC=C2)OC)F
InChI
InChI=1S/C14H12F2O2/c1-17-11-7-3-5-9(13(11)15)10-6-4-8-12(18-2)14(10)16/h3-8H,1-2H3
InChIKey
RIKANRQECXDBPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.9
TPSA
18.46
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.7
Consensus LogP
3.52
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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