CAS RN: 626216-21-5
N,N-DIMETHYL-N’-THIOPHEN-2-YLMETHYL-ETHANE-1,2-DIAMINE
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.20250526 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS626216-21-5
- Purity/Analytical Methods: >99.0%
626216-21-5 / N',N'-dimethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
Basic Information
CAS
626216-21-5
Multi CAS
No
Molecular Formula
C9H16N2S
Molecular Weight
184.300000
Exact Mass
184.103420
InChI
InChI=1S/C9H16N2S/c1-11(2)6-5-10-8-9-4-3-7-12-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKey
PDADLYSGRUBJJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.58
TPSA
15.27
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.85
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
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