CAS RN: 152142-03-5
(1R)-1-(4-Chlorophenyl)-1,2-ethanediol
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.20251112 | 10g / 50g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS152142-03-5
- Purity/Analytical Methods: >99.0%
152142-03-5 / (1R)-1-(4-chlorophenyl)ethane-1,2-diol
Basic Information
CAS
152142-03-5
Multi CAS
No
Molecular Formula
C8H9ClO2
Molecular Weight
172.610000
Exact Mass
172.029107
SMILES
C1=CC(=CC=C1[C@H](CO)O)Cl
InChI
InChI=1S/C8H9ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1
InChIKey
QIVMDIMEYSDOSD-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.5
TPSA
40.46
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
