CAS RN: 41918-08-5
ETHYL (S)-(-)-2-METHOXYPROPIONATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 5ml | Out of stock | 40 business days | Inquiry |
41918-08-5 / ethyl (2S)-2-methoxypropanoate
ethyl (2S)-2-methoxypropanoate | ethyl (s)-(-)-2-methoxypropionate | O-Methyl-L-lactic Acid Ethyl Ester
Basic Information
CAS
41918-08-5
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
SMILES
CCOC(=O)C(C)OC
InChI
InChI=1S/C6H12O3/c1-4-9-6(7)5(2)8-3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKey
WHRLOJCOIKOQGL-YFKPBYRVSA-N
Synonyms
ethyl (2S)-2-methoxypropanoate
ethyl (s)-(-)-2-methoxypropionate
O-Methyl-L-lactic Acid Ethyl Ester
MFCD01632590
(S)-Ethyl 2-methoxypropanoate
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
33.1
TPSA
35.53
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
