![CAS 485334-66-5 [5-(2-CHLORO-PHENYL)-[1,3,4]OXADIAZOL-2-YLSULFANYL]-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3417221.gif)
CAS RN: 485334-66-5
[5-(2-CHLORO-PHENYL)-[1,3,4]OXADIAZOL-2-YLSULFANYL]-ACETIC ACID
- Product code: SSC-155267
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
485334-66-5 / 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Basic Information
CAS
485334-66-5
Multi CAS
No
Molecular Formula
C10H7CLN2O3S
Molecular Weight
270.690000
Exact Mass
269.986591
InChI
InChI=1S/C10H7ClN2O3S/c11-7-4-2-1-3-6(7)9-12-13-10(16-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
InChIKey
JANFAVUKCBTPSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.1
TPSA
76.22
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.55
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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