![CAS 887405-34-7 (4-ISOPROPYL-[1,2,3]TRIAZOL-1-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2286033.gif)
CAS RN: 887405-34-7
(4-ISOPROPYL-[1,2,3]TRIAZOL-1-YL)-ACETIC ACID
- Product code: SSC-200281
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
887405-34-7 / 2-(4-propan-2-yltriazol-1-yl)acetic acid
Basic Information
CAS
887405-34-7
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
InChI
InChI=1S/C7H11N3O2/c1-5(2)6-3-10(9-8-6)4-7(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKey
WKPGRRKAOCAINH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.75
TPSA
68.01
LogP / Solubility
WLOGP
0.49
MLOGP
0.42
XLogP3
0.5
Consensus LogP
0.47
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 887408-55-1 [4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887408-55-1.gif)
