![CAS 847544-96-1 propyl[2-(thiophen-2-yl)ethyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847544-96-1.gif)
CAS RN: 847544-96-1
propyl[2-(thiophen-2-yl)ethyl]amine
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.20250607 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS847544-96-1
- Purity/Analytical Methods: >99.0%
847544-96-1 / N-(2-thiophen-2-ylethyl)propan-1-amine
Basic Information
CAS
847544-96-1
Multi CAS
No
Molecular Formula
C9H15NS
Molecular Weight
169.290000
Exact Mass
169.092521
InChI
InChI=1S/C9H15NS/c1-2-6-10-7-5-9-4-3-8-11-9/h3-4,8,10H,2,5-7H2,1H3
InChIKey
YZBKMLGLDHXXFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.18
TPSA
12.03
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Thiazole, 2-iodo-5-Methyl-
- CAS RN: 847547-16-4
- Product Code: starshine_CAS847547-16-4
- Purity/Analytical method: >99.0%
-
4-Quinolinecarboxylicacid,2-chloro-3-hydroxy-(9CI)
- CAS RN: 847547-91-5
- Product Code: starshine_CAS847547-91-5
- Purity/Analytical method: >99.0%
-
5-Iodo-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- CAS RN: 847551-49-9
- Product Code: starshine_CAS847551-49-9
- Purity/Analytical method: >99.0%
-
-
ethyl 1,4-dibenzyl-1,4-diazepane-2-carboxylate
- CAS RN: 847556-35-8
- Product Code: SSC-192326
![CAS 847551-49-9 5-Iodo-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847551-49-9.gif)
