CAS RN: 59739-05-8
2-AMINOTHIOPHENE-3-CARBOXYLIC ACID T-BUTYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-168274
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
59739-05-8 / tert-butyl 2-aminothiophene-3-carboxylate
Basic Information
CAS
59739-05-8
Multi CAS
No
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)6-4-5-13-7(6)10/h4-5H,10H2,1-3H3
InChIKey
MMDNHEKRFNBVIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.9
TPSA
52.32
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
2.6
Consensus LogP
2.3
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1beta,10beta-Epoxy-6beta-isobutyryloxy-9-oxofuranoeremophilane
- CAS RN: 59742-11-9
- Product Code: starshine_CAS59742-11-9
- Purity/Analytical method: >99.0%
-
-
-
10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol
- CAS RN: 59743-88-3
- Product Code: SSC-168278
-
4-(PENTYLOXY)-4′-BIPHENYLCARBOXYLIC ACID
- CAS RN: 59748-15-1
- Product Code: starshine_CAS59748-15-1
- Purity/Analytical method: >99.0%
![CAS 59743-84-9 Benzo[b]thiophen-10-methoxycycloheptanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59743-84-9.gif)
![CAS 59743-88-3 10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59743-88-3.gif)
