![CAS 299936-54-2 5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2H-PYRAZOLE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299936-54-2.png)
CAS RN: 299936-54-2
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
- Product code: SSC-133530
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 | Shanghai | Inquiry |
299936-54-2 / 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylic acid
Basic Information
CAS
299936-54-2
Multi CAS
Yes
Molecular Formula
C12H10N2O4
Molecular Weight
246.220000
Exact Mass
246.064057
InChI
InChI=1S/C12H10N2O4/c15-12(16)9-6-8(13-14-9)7-1-2-10-11(5-7)18-4-3-17-10/h1-2,5-6H,3-4H2,(H,13,14)(H,15,16)
InChIKey
ORKDEZMAVOKLOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.97
TPSA
84.44
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1.5
Consensus LogP
1.47
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1H-Benzimidazole-2-methanol,1-ethyl-alpha-methyl-(9CI)
- CAS RN: 299936-69-9
- Product Code: starshine_CAS299936-69-9
- Purity/Analytical method: >99.0%
-
5-(2-METHOXY-BENZYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- CAS RN: 299936-70-2
- Product Code: SSC-133531
-
5-(5-CHLORO-2-METHOXY-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- CAS RN: 299937-28-3
- Product Code: SSC-133535
-
5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-amine
- CAS RN: 299937-74-9
- Product Code: SSC-133541
-
5-(2-Bromo-benzyl)-[1,3,4]thiadiazol-2-ylamine
- CAS RN: 299937-91-0
- Product Code: SSC-133542
-
Mirin
- CAS RN: 299953-00-7
- Product Code: starshine_CAS299953-00-7
- Purity/Analytical method: >99.0%
![CAS 299936-70-2 5-(2-METHOXY-BENZYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299936-70-2.png)
![CAS 299937-28-3 5-(5-CHLORO-2-METHOXY-PHENYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299937-28-3.png)
![CAS 299937-91-0 5-(2-Bromo-benzyl)-[1,3,4]thiadiazol-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299937-91-0.png)
