.gif)
CAS RN: 350997-08-9
2-AMINO-4-P-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS350997-08-9
- Purity/Analytical Methods: >99.0%
350997-08-9 / methyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
Basic Information
CAS
350997-08-9
Multi CAS
No
Molecular Formula
C13H13NO2S
Molecular Weight
247.310000
Exact Mass
247.066700
InChI
InChI=1S/C13H13NO2S/c1-8-3-5-9(6-4-8)10-7-17-12(14)11(10)13(15)16-2/h3-7H,14H2,1-2H3
InChIKey
MREFUXQLNNUUNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.24
TPSA
52.32
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
3.6
Consensus LogP
3.14
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
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
-
2-AMINO-4-M-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 350997-09-0
- Product Code: starshine_CAS350997-09-0
- Purity/Analytical method: >99.0%
-
2-AMINO-4-(2-CHLORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 350997-11-4
- Product Code: SSC-141828
-
2-AMINO-4-(3,4-DIMETHOXYPHENYL)THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 350997-14-7
- Product Code: SSC-141829
-
ETHYL 2-AMINO-5-METHYL-4-(4-METHYLPHENYL)THIOPHENE-3-CARBOXYLATE
- CAS RN: 350997-35-2
- Product Code: SSC-141830
-
2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 350997-36-3
- Product Code: SSC-141831
-
3,4-DICHLORO-1-BENZOTHIOPHENE-2-CARBOHYDRAZIDE
- CAS RN: 350997-39-6
- Product Code: starshine_CAS350997-39-6
- Purity/Analytical method: >99.0%
.gif)
.gif)
![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)
