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CAS 501699-25-8 2-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-INDOLE molecular structure lightbox
CAS RN: 501699-25-8

2-(4-CHLORO-PHENYL)-2,3-DIHYDRO-1H-INDOLE

  • Product code: SSC-156578
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 501699-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

501699-25-8 / 2-(4-chlorophenyl)-2,3-dihydro-1H-indole

Standard CAS: 501699-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501699-25-8
Multi CAS
No
Molecular Formula
C14H12CLN
Molecular Weight
229.700000
Exact Mass
229.065827
InChI
InChI=1S/C14H12ClN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-8,14,16H,9H2
InChIKey
WCTNQKRXFOYQLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.96
TPSA
12.03

LogP / Solubility

WLOGP
4.05
MLOGP
3.57
XLogP3
4.1
Consensus LogP
3.91
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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