CAS RN: 32777-04-1
Propanoic acid, 3-chloro-2-hydroxy-, Methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS32777-04-1
- Purity/Analytical Methods: >99.0%
32777-04-1 / methyl 3-chloro-2-hydroxypropanoate
Basic Information
CAS
32777-04-1
Multi CAS
No
Molecular Formula
C4H7CLO3
Molecular Weight
138.550000
Exact Mass
138.008372
InChI
InChI=1S/C4H7ClO3/c1-8-4(7)3(6)2-5/h3,6H,2H2,1H3
InChIKey
PKYMVZYRXABHDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.74
TPSA
46.53
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.22
XLogP3
0.1
Consensus LogP
-0.12
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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