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CAS 1262797-30-7 1-(Cyclopropylmethyl)-1H-indol-4-amine molecular structure lightbox
CAS RN: 1262797-30-7

1-(Cyclopropylmethyl)-1H-indol-4-amine

  • Product code: SSC-033246
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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: 5g
  • 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 1262797-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1262797-30-7 / 1-(cyclopropylmethyl)indol-4-amine

Standard CAS: 1262797-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262797-30-7
Multi CAS
No
Molecular Formula
C12H14N2
Molecular Weight
186.250000
Exact Mass
186.115698
SMILES
C1CC1CN2C=CC3=C(C=CC=C32)N
InChI
InChI=1S/C12H14N2/c13-11-2-1-3-12-10(11)6-7-14(12)8-9-4-5-9/h1-3,6-7,9H,4-5,8,13H2
InChIKey
ZAXYITRVLLGSBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.07
TPSA
30.95

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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