CAS RN: 13159-52-9
3-Chloro-2-hydroxypropyl Methacrylate (stabilized with HQ)
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.20251223 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTC2105
- Purity/Analytical Methods: >83.0%(GC)
13159-52-9 / (3-chloro-2-hydroxypropyl) 2-methylprop-2-enoate
Basic Information
CAS
13159-52-9
Multi CAS
No
Molecular Formula
C7H11ClO3
Molecular Weight
178.610000
Exact Mass
178.039672
SMILES
CC(=C)C(=O)OCC(CCl)O
InChI
InChI=1S/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3
InChIKey
DDKMFQGAZVMXQV-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless viscous liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.5
TPSA
46.53
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
1.2
Consensus LogP
0.84
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.31
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
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (84%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (84%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (84%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
