[email protected]
CAS 114144-22-8 7-chloroindoline molecular structure lightbox
CAS RN: 114144-22-8

7-chloroindoline

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 1g In stock Inquiry
Batchno.20250424 250mg In stock Inquiry
Batchno.20251004 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS114144-22-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

114144-22-8 / 7-chloro-2,3-dihydro-1H-indole

7-chloro-2,3-dihydro-1H-indole | RefChem:546071 | 829-105-7

Standard CAS: 114144-22-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114144-22-8
Multi CAS
No
Molecular Formula
C8H8ClN
Molecular Weight
153.610000
Exact Mass
153.034527
SMILES
C1CNC2=C1C=CC=C2Cl
InChI
InChI=1S/C8H8ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKey
OMPUMOUPCGQKNM-UHFFFAOYSA-N
Synonyms
7-chloro-2,3-dihydro-1H-indole RefChem:546071 829-105-7 7-CHLOROINDOLINE 1H-Indole, 7-chloro-2,3-dihydro-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.65
TPSA
12.03

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.6
Consensus LogP
2.31
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us