CAS RN: 350997-14-7
2-AMINO-4-(3,4-DIMETHOXYPHENYL)THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-141829
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: 0
- 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 | 0 | 0 Out of Stock | Hong Kong | Inquiry |
350997-14-7 / methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
Basic Information
CAS
350997-14-7
Multi CAS
No
Molecular Formula
C14H15NO4S
Molecular Weight
293.340000
Exact Mass
293.072179
InChI
InChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3
InChIKey
ZUSQWNRHCGOMKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
78.61
TPSA
70.78
LogP / Solubility
WLOGP
2.8
MLOGP
2.48
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 350997-36-3 2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8716998(1).gif)
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