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CAS 1108684-03-2 (1S)-1-(4-BROMOPHENYL)PROPAN-1-AMINE molecular structure lightbox
CAS RN: 1108684-03-2

(1S)-1-(4-BROMOPHENYL)PROPAN-1-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 250mg In stock Shanghai Inquiry
  • Product code: SSC-011801
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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 1108684-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1108684-03-2 / (1S)-1-(4-bromophenyl)propan-1-amine

1-(4-bromophenyl)propan-1-amine | MFCD06655172 | SCHEMBL188375

Standard CAS: 1108684-03-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1108684-03-2
Multi CAS
Yes
Molecular Formula
C9H12BrN
Molecular Weight
214.100000
Exact Mass
213.015310
SMILES
CC[C@@H](C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H12BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3/t9-/m0/s1
InChIKey
WKPWFAZJGVXPCH-VIFPVBQESA-N
Synonyms
1-(4-bromophenyl)propan-1-amine MFCD06655172 SCHEMBL188375 DTXSID80392430 ZCA87709

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.36
TPSA
26.02

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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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