CAS RN: 1219384-60-7
4-Oxazolidine carbocylic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS1219384-60-7
- Purity/Analytical Methods: >99.0%
1219384-60-7 / 1,3-oxazolidine-4-carboxylic acid;hydrochloride
Basic Information
CAS
1219384-60-7
Multi CAS
No
Molecular Formula
C4H8ClNO3
Molecular Weight
153.560000
Exact Mass
153.019271
SMILES
C1C(NCO1)C(=O)O.Cl
InChI
InChI=1S/C4H7NO3.ClH/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKey
QDWFSTLUZHSBAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.63
TPSA
58.56
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.56
Consensus LogP
-0.54
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
1-Benzyl-3-N-Cbz-amino-2,5-dioxo-pyrrolidine
- CAS RN: 1219424-59-5
- Product Code: SSC-024778
-
-
-
3-Methyl-1-p-tolyl-butylamine hydrochloride
- CAS RN: 1219455-77-2
- Product Code: starshine_CAS1219455-77-2
- Purity/Analytical method: >99.0%
