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CAS 1082678-45-2 7-BroMo-1-heptanaMine HydrobroMide molecular structure lightbox
CAS RN: 1082678-45-2

7-BroMo-1-heptanaMine HydrobroMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009569
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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 1082678-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1082678-45-2 / 7-bromoheptan-1-amine;hydrobromide

7-Bromoheptan-1-amine hydrobromide | 7-Bromo-1-heptanamine Hydrobromide | 7-bromoheptan-1-amine;hydrobromide

Standard CAS: 1082678-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1082678-45-2
Multi CAS
Yes
Molecular Formula
C7H17Br2N
Molecular Weight
275.020000
Exact Mass
274.970730
SMILES
C(CCCN)CCCBr.Br
InChI
InChI=1S/C7H16BrN.BrH/c8-6-4-2-1-3-5-7-9;/h1-7,9H2;1H
InChIKey
VTNNWOAGUQLSHH-UHFFFAOYSA-N
Synonyms
7-Bromoheptan-1-amine hydrobromide 7-Bromo-1-heptanamine Hydrobromide 7-bromoheptan-1-amine;hydrobromide C7H17Br2N MFCD28118492

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.26
TPSA
26.02

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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