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 | Hong Kong | Inquiry |
207981-50-8 / 2-(2,6-difluorophenyl)-2-hydroxyacetic acid
Basic Information
CAS
207981-50-8
Multi CAS
No
Molecular Formula
C8H6F2O3
Molecular Weight
188.130000
Exact Mass
188.028500
SMILES
C1=CC(=C(C(=C1)F)C(C(=O)O)O)F
InChI
InChI=1S/C8H6F2O3/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
BMZWDQNFSCPFCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.95
TPSA
57.53
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
1
Consensus LogP
1.01
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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