CAS RN: 60667-24-5
methyl thiazolidine-4-carboxylate
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS60667-24-5
- Purity/Analytical Methods: >99.0%
60667-24-5 / methyl 1,3-thiazolidine-4-carboxylate
Basic Information
CAS
60667-24-5
Multi CAS
Yes
Molecular Formula
C5H9NO2S
Molecular Weight
147.200000
Exact Mass
147.035400
InChI
InChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3
InChIKey
NHBNAVLHRAPNKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.26
TPSA
38.33
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
0.3
Consensus LogP
-0.01
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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