CAS RN: 291545-74-9
(S)-2-chloro-N-(2-hydroxy-1-phenylethyl)acetamide
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.20260525 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS291545-74-9
- Purity/Analytical Methods: >99.0%
291545-74-9 / 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
Basic Information
CAS
291545-74-9
Multi CAS
Yes
Molecular Formula
C10H12CLNO2
Molecular Weight
213.660000
Exact Mass
213.055656
InChI
InChI=1S/C10H12ClNO2/c11-6-10(14)12-9(7-13)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,14)/t9-/m1/s1
InChIKey
FSXRRQVFMUHBJQ-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.13
TPSA
49.33
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
1
Consensus LogP
1.01
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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