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CAS 2135600-87-0 (5-fluoro-2,3-dihydrobenzofuran-4-yl)methanamine hydrochloride molecular structure lightbox
CAS RN: 2135600-87-0

(5-fluoro-2,3-dihydrobenzofuran-4-yl)methanamine hydrochloride

  • Product code: SSC-101963
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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: ＞97%
  • 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 2135600-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2135600-87-0 / (5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methanamine;hydrochloride

Standard CAS: 2135600-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2135600-87-0
Multi CAS
No
Molecular Formula
C9H11ClFNO
Molecular Weight
203.640000
Exact Mass
203.051320
SMILES
C1COC2=C1C(=C(C=C2)F)CN.Cl
InChI
InChI=1S/C9H10FNO.ClH/c10-8-1-2-9-6(3-4-12-9)7(8)5-11;/h1-2H,3-5,11H2;1H
InChIKey
IERSJPXCQAWYIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.74
TPSA
35.25

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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