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CAS 215362-48-4 1H-Inden-1-amine,2,3-dihydro-7-methoxy-,(1R)-(9CI) molecular structure lightbox
CAS RN: 215362-48-4

1H-Inden-1-amine,2,3-dihydro-7-methoxy-,(1R)-(9CI)

  • Product code: SSC-103211
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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: 0.25g
  • 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 215362-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

215362-48-4 / (1R)-7-methoxy-2,3-dihydro-1H-inden-1-amine

Standard CAS: 215362-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215362-48-4
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
SMILES
COC1=CC=CC2=C1[C@@H](CC2)N
InChI
InChI=1S/C10H13NO/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h2-4,8H,5-6,11H2,1H3/t8-/m1/s1
InChIKey
RWAJCHDFYSLZND-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.24
TPSA
35.25

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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