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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
236754-62-4 / 2-amino-3-(2,3-difluorophenyl)propanoic acid
Basic Information
CAS
236754-62-4
Multi CAS
No
Molecular Formula
C9H9F2NO2
Molecular Weight
201.170000
Exact Mass
201.060135
SMILES
C1=CC(=C(C(=C1)F)F)CC(C(=O)O)N
InChI
InChI=1S/C9H9F2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)
InChIKey
KSUXKFDPNKLPHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.67
TPSA
63.32
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
-1.2
Consensus LogP
0.18
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.29
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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BIS(TRIFLUORO-2,4-PENTANEDIONATO)COPPER(II)
- CAS RN: 23677-93-2
- Product Code: starshine_CAS23677-93-2
- Purity/Analytical method: >99.0%
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