[email protected]
CAS 2654745-81-8 Benzenemethanamine, 3-bromo-α,2-dimethyl-, hydrochloride (1:1), (αR)- molecular structure lightbox
CAS RN: 2654745-81-8

Benzenemethanamine, 3-bromo-α,2-dimethyl-, hydrochloride (1:1), (αR)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-124522
GET A QUOTE
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
Request Bulk Quote

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 2654745-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2654745-81-8 / 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride

Standard CAS: 2654745-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2654745-81-8
Multi CAS
No
Molecular Formula
C9H13BrClN
Molecular Weight
250.560000
Exact Mass
248.991990
SMILES
CC1=C(C=CC=C1Br)C(C)N.Cl
InChI
InChI=1S/C9H12BrN.ClH/c1-6-8(7(2)11)4-3-5-9(6)10;/h3-5,7H,11H2,1-2H3;1H
InChIKey
BOEQZVWMIFTBCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.73
TPSA
26.02

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us