CAS RN: 878132-19-5
1-Ethyl-3-methylimidazolium L-(+)-lactat
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS878132-19-5
- Purity/Analytical Methods: >99.0%
878132-19-5 / 1-ethyl-3-methylimidazol-3-ium;(2S)-2-hydroxypropanoate
Basic Information
CAS
878132-19-5
Multi CAS
Yes
Molecular Formula
C9H16N2O3
Molecular Weight
200.230000
Exact Mass
200.116092
InChI
InChI=1S/C6H11N2.C3H6O3/c1-3-8-5-4-7(2)6-8;1-2(4)3(5)6/h4-6H,3H2,1-2H3;2,4H,1H3,(H,5,6)/q+1;/p-1/t;2-/m.0/s1
InChIKey
RJCLZEKYUQKDAL-WNQIDUERSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.97
TPSA
69.17
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.36
XLogP3
-1.55
Consensus LogP
-1.49
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 878143-03-4 Phosphonic acid, [(3E)-1-[(2E)-3,7-dimethyl-2,6-octadienyl]-4,8-dimethyl-3,7-nonadienylidene]bis-, tetrasodium salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878143-03-4.gif)
