CAS RN: 154885-33-3
(R)-6-CHLORO-2-HEXANOL
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.20250605 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS154885-33-3
- Purity/Analytical Methods: >99.0%
154885-33-3 / (2R)-6-chlorohexan-2-ol
Basic Information
CAS
154885-33-3
Multi CAS
No
Molecular Formula
C6H13ClO
Molecular Weight
136.620000
Exact Mass
136.065493
SMILES
C[C@H](CCCCCl)O
InChI
InChI=1S/C6H13ClO/c1-6(8)4-2-3-5-7/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKey
LDIPECSHAACCTQ-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.25
TPSA
20.23
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.5
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)
-2.29
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)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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