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CAS 23968-37-8 2-METHYL-BENZOFURAN-5-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 23968-37-8

2-METHYL-BENZOFURAN-5-YLAMINE HYDROCHLORIDE

  • Product code: SSC-116946
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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 23968-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

23968-37-8 / 2-methyl-1-benzofuran-5-amine;hydrochloride

Standard CAS: 23968-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23968-37-8
Multi CAS
No
Molecular Formula
C9H10ClNO
Molecular Weight
183.630000
Exact Mass
183.045092
SMILES
CC1=CC2=C(O1)C=CC(=C2)N.Cl
InChI
InChI=1S/C9H9NO.ClH/c1-6-4-7-5-8(10)2-3-9(7)11-6;/h2-5H,10H2,1H3;1H
InChIKey
MDVOJFDJZLPIKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.61
TPSA
39.16

LogP / Solubility

WLOGP
2.75
MLOGP
2.41
XLogP3
2.75
Consensus LogP
2.64
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-1.89

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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