CAS RN: 10254-07-6
N-Benzhydryl-2-chloro-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.20250208 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS10254-07-6
- Purity/Analytical Methods: >99.0%
10254-07-6 / N-benzhydryl-2-chloroacetamide
N-benzhydryl-2-chloroacetamide | RefChem:829043 | 665-142-3
Basic Information
CAS
10254-07-6
Multi CAS
No
Molecular Formula
C15H14ClNO
Molecular Weight
259.730000
Exact Mass
259.076392
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C15H14ClNO/c16-11-14(18)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,18)
InChIKey
YNIDNLNUYCFFTA-UHFFFAOYSA-N
Synonyms
N-benzhydryl-2-chloroacetamide
RefChem:829043
665-142-3
2-chloro-N-(diphenylmethyl)acetamide
N-Benzhydryl-2-chloro-acetamide
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.59
TPSA
29.1
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.1
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501
