CAS RN: 1975200-03-3
(2S)-2-amino-2-(4,4-difluorocyclohexyl)acetic 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.20260523 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1975200-03-3
- Purity/Analytical Methods: >99.0%
1975200-03-3 / (2S)-2-amino-2-(4,4-difluorocyclohexyl)acetic acid
Basic Information
CAS
1975200-03-3
Multi CAS
No
Molecular Formula
C8H13F2NO2
Molecular Weight
193.190000
Exact Mass
193.091435
SMILES
C1CC(CCC1[C@@H](C(=O)O)N)(F)F
InChI
InChI=1S/C8H13F2NO2/c9-8(10)3-1-5(2-4-8)6(11)7(12)13/h5-6H,1-4,11H2,(H,12,13)/t6-/m0/s1
InChIKey
HOACGGSRPGHQFC-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.52
TPSA
63.32
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
-1.2
Consensus LogP
0.37
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.03
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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