CAS RN: 712-80-1
2-(4-DIMETHYLAMINOPHENYL)THIAZOLIDINE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260304 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS712-80-1
- Purity/Analytical Methods: >99.0%
712-80-1 / N,N-dimethyl-4-(1,3-thiazolidin-2-yl)aniline
Basic Information
CAS
712-80-1
Multi CAS
Yes
Molecular Formula
C11H16N2S
Molecular Weight
208.330000
Exact Mass
208.103420
InChI
InChI=1S/C11H16N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6,11-12H,7-8H2,1-2H3
InChIKey
ISSWNDGJXPGDPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.97
TPSA
15.27
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
1.6
Consensus LogP
1.84
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
