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CAS 88229-17-8 Benzamide, 2-chloro-N-cyclopropyl- molecular structure lightbox
CAS RN: 88229-17-8

Benzamide, 2-chloro-N-cyclopropyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88229-17-8
  • Purity/Analytical Methods: >99.0%
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88229-17-8 / 2-chloro-N-cyclopropylbenzamide

Standard CAS: 88229-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88229-17-8
Multi CAS
No
Molecular Formula
C10H10CLNO
Molecular Weight
195.640000
Exact Mass
195.045092
InChI
InChI=1S/C10H10ClNO/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6H2,(H,12,13)
InChIKey
VMRXNYYUXQFGFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.94
TPSA
29.1

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
1.4
Consensus LogP
1.86
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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