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CAS 1212376-96-9 (alphaS)-3-BroMo-4-fluoro-alpha-MethylbenzeneMethanaMine molecular structure lightbox
CAS RN: 1212376-96-9

(alphaS)-3-BroMo-4-fluoro-alpha-MethylbenzeneMethanaMine

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250729 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250131 1g In stock Tianjin Inquiry
Batchno.20250513 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-023039
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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 1212376-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1212376-96-9 / (1S)-1-(3-bromo-4-fluorophenyl)ethanamine;hydrochloride

(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine | (S)-1-(3-Bromo-4-fluorophenyl)ethanamine | (1S)-1-(3-BROMO-4-FLUOROPHENYL)ETHANAMINE

Standard CAS: 1212376-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212376-96-9
Multi CAS
Yes
Molecular Formula
C8H10BrClFN
Molecular Weight
254.530000
Exact Mass
252.966920
SMILES
C[C@@H](C1=CC(=C(C=C1)F)Br)N.Cl
InChI
InChI=1S/C8H9BrFN/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5H,11H2,1H3/t5-/m0/s1
InChIKey
GLMDQQAMANPGCU-YFKPBYRVSA-N
Synonyms
(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine (S)-1-(3-Bromo-4-fluorophenyl)ethanamine (1S)-1-(3-BROMO-4-FLUOROPHENYL)ETHANAMINE MFCD06761803 CHEMBL4990330

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.95
TPSA
26.02

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.12

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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