CAS RN: 712348-40-8
5-(2,4-DICHLORO-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
- Product code: SSC-180890
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 |
712348-40-8 / 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
Basic Information
CAS
712348-40-8
Multi CAS
No
Molecular Formula
C10H5CL2NO3
Molecular Weight
258.050000
Exact Mass
256.964648
InChI
InChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey
JTPPKCXDMFYTFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.92
TPSA
63.33
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.1
Consensus LogP
3.13
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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