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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
199283-51-7 / 2-(4,6-dichloro-3-pyridinyl)acetic acid
Basic Information
CAS
199283-51-7
Multi CAS
No
Molecular Formula
C7H5Cl2NO2
Molecular Weight
206.020000
Exact Mass
204.969734
SMILES
C1=C(C(=CN=C1Cl)CC(=O)O)Cl
InChI
InChI=1S/C7H5Cl2NO2/c8-5-2-6(9)10-3-4(5)1-7(11)12/h2-3H,1H2,(H,11,12)
InChIKey
PQYUZCUCIIIHJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.6
TPSA
50.19
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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2-FLUORO-5-(TRIFLUOROMETHYL)BENZOPHENONE
- CAS RN: 199292-40-5
- Product Code: starshine_CAS199292-40-5
- Purity/Analytical method: >99.0%
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