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CAS 109926-36-5 5-METHOXY-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 109926-36-5

5-METHOXY-2,3-DIHYDRO-BENZOFURAN-3-YLAMINE HYDROCHLORIDE

  • Product code: SSC-011194
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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 109926-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

109926-36-5 / 5-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

5-METHOXY-2,3-DIHYDROBENZOFURAN-3-AMINE | 5-METHOXY-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE | MFCD09026447

Standard CAS: 109926-36-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109926-36-5
Multi CAS
Yes
Molecular Formula
C9H12ClNO2
Molecular Weight
201.650000
Exact Mass
201.055656
SMILES
COC1=CC2=C(C=C1)OCC2N.Cl
InChI
InChI=1S/C9H11NO2/c1-11-6-2-3-9-7(4-6)8(10)5-12-9/h2-4,8H,5,10H2,1H3
InChIKey
YIQKSSAVXLUIKV-UHFFFAOYSA-N
Synonyms
5-METHOXY-2,3-DIHYDROBENZOFURAN-3-AMINE 5-METHOXY-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE MFCD09026447 AKOS000223280 AKOS022473879

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.67
TPSA
44.48

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.51
Consensus LogP
1.45
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.88

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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