CAS RN: 13190-34-6
DL-GOITRIN
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 5mg / 20mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS13190-34-6
- Purity/Analytical Methods: >99.0%
13190-34-6 / 5-ethenyl-1,3-oxazolidine-2-thione
Basic Information
CAS
13190-34-6
Multi CAS
No
Molecular Formula
C5H7NOS
Molecular Weight
129.180000
Exact Mass
129.024835
SMILES
C=CC1CNC(=S)O1
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
InChIKey
UZQVYLOFLQICCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.67
TPSA
21.26
LogP / Solubility
WLOGP
0.45
MLOGP
0.38
XLogP3
1
Consensus LogP
0.61
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.19
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
2
Customers Also Viewed
-
Ara-C triphosphate
- CAS RN: 13191-15-6
- Product Code: starshine_CAS13191-15-6
- Purity/Analytical method: >99.0%
-
-
2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
- CAS RN: 13193-24-3
- Product Code: starshine_CAS13193-24-3
- Purity/Analytical method: >99.0%
-
-
-
