CAS RN: 917391-29-8
3-AMINO-4-METHYLBENZOIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260304 | 1g | Out of stock | Inquiry |
- Product code: SSC-205157
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
917391-29-8 / methanesulfonic acid;4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole
Basic Information
CAS
917391-29-8
Multi CAS
No
Molecular Formula
C12F3H12N3O5S
Molecular Weight
367.300000
Exact Mass
367.044976
InChI
InChI=1S/C11H8F3N3O2.CH4O3S/c1-7-5-16(6-15-7)9-2-8(11(12,13)14)3-10(4-9)17(18)19;1-5(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)
InChIKey
UCFANUCZIZGFPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.43
TPSA
115.33
LogP / Solubility
WLOGP
2.61
MLOGP
2.32
XLogP3
2.61
Consensus LogP
2.51
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
5-fluoro-2-oxo-1,2-dihydropyridine-3-carbaldehyde
- CAS RN: 917391-98-1
- Product Code: SSC-205158
-
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester
- CAS RN: 917392-54-2
- Product Code: starshine_CAS917392-54-2
- Purity/Analytical method: >99.0%
-
Lorediplon
- CAS RN: 917393-39-6
- Product Code: starshine_CAS917393-39-6
- Purity/Analytical method: >99.0%
-
-
1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethanol
- CAS RN: 917397-92-3
- Product Code: SSC-205162
-
2-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
- CAS RN: 917397-93-4
- Product Code: SSC-205163
![CAS 917392-54-2 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/917392-54-2.gif)
![CAS 917397-93-4 2-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/917397-93-4.gif)