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CAS 113974-24-6 Benzenemethanamine, 2-bromo-α-methyl-, (αR)- molecular structure lightbox
CAS RN: 113974-24-6

Benzenemethanamine, 2-bromo-α-methyl-, (αR)-

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013898
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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: ＞97%
  • 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 113974-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

113974-24-6 / (1R)-1-(2-bromophenyl)ethanamine

(R)-1-(2-Bromophenyl)ethanamine | DTXSID00368894 | RefChem:210833

Standard CAS: 113974-24-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113974-24-6
Multi CAS
Yes
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
C[C@H](C1=CC=CC=C1Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey
DSAXBVQQKYZELF-ZCFIWIBFSA-N
Synonyms
(R)-1-(2-Bromophenyl)ethanamine DTXSID00368894 RefChem:210833 DTXCID50319932 (1R)-1-(2-bromophenyl)ethanamine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.74
TPSA
26.02

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.19

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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