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CAS 1965314-59-3 S)-5-Bromo-2,3-dihydro-benzofuran-3-ylamine hydrochloride molecular structure lightbox
CAS RN: 1965314-59-3

S)-5-Bromo-2,3-dihydro-benzofuran-3-ylamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-092803
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1965314-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry

1965314-59-3 / (3S)-5-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

Standard CAS: 1965314-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1965314-59-3
Multi CAS
No
Molecular Formula
C8H9BrClNO
Molecular Weight
250.520000
Exact Mass
248.955600
SMILES
C1[C@H](C2=C(O1)C=CC(=C2)Br)N.Cl
InChI
InChI=1S/C8H8BrNO.ClH/c9-5-1-2-8-6(3-5)7(10)4-11-8;/h1-3,7H,4,10H2;1H/t7-;/m1./s1
InChIKey
UKCIFENUZLYBRF-OGFXRTJISA-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
53.81
TPSA
35.25

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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