CAS RN: 209982-92-3
(S)-3,5-DifluoroMandelic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250725 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS209982-92-3
- Purity/Analytical Methods: >99.0%
209982-92-3 / methyl (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetate
Basic Information
CAS
209982-92-3
Multi CAS
No
Molecular Formula
C9H8F2O3
Molecular Weight
202.150000
Exact Mass
202.044150
SMILES
COC(=O)[C@H](C1=CC(=CC(=C1)F)F)O
InChI
InChI=1S/C9H8F2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3/t8-/m0/s1
InChIKey
UZOWGTYLHKCRKG-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.33
TPSA
46.53
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.2
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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