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CAS 1241676-23-2 (3S)-5,7-DICHLORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE molecular structure lightbox
CAS RN: 1241676-23-2

(3S)-5,7-DICHLORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE

  • Product code: SSC-027948
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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 1241676-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1241676-23-2 / (3S)-5,7-dichloro-2,3-dihydro-1-benzofuran-3-amine

Standard CAS: 1241676-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241676-23-2
Multi CAS
No
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.050000
Exact Mass
202.990469
SMILES
C1[C@H](C2=C(O1)C(=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C8H7Cl2NO/c9-4-1-5-7(11)3-12-8(5)6(10)2-4/h1-2,7H,3,11H2/t7-/m1/s1
InChIKey
OKEOLIUJGZJCIX-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.89
TPSA
35.25

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.27

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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