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CAS 1443981-63-2 Acetamide, 2-chloro-N-cyclopropyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)- molecular structure lightbox
CAS RN: 1443981-63-2

Acetamide, 2-chloro-N-cyclopropyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1443981-63-2
  • Purity/Analytical Methods: >99.0%
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1443981-63-2 / 2-chloro-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Standard CAS: 1443981-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443981-63-2
Multi CAS
No
Molecular Formula
C15H18ClNO
Molecular Weight
263.760000
Exact Mass
263.107692
SMILES
C1CC(C2=CC=CC=C2C1)N(C3CC3)C(=O)CCl
InChI
InChI=1S/C15H18ClNO/c16-10-15(18)17(12-8-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2
InChIKey
GISQBULGVHDDHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
72.71
TPSA
20.31

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

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
2

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