[email protected]
CAS 14502-45-5 12-BROMO-1-AMINODODECANE, HYDROBROMIDE molecular structure lightbox
CAS RN: 14502-45-5

12-BROMO-1-AMINODODECANE, HYDROBROMIDE

  • Product code: SSC-056395
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 14502-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14502-45-5 / 12-bromododecan-1-amine;hydrobromide

Standard CAS: 14502-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14502-45-5
Multi CAS
No
Molecular Formula
C12H27Br2N
Molecular Weight
345.160000
Exact Mass
345.048980
SMILES
C(CCCCCCBr)CCCCCN.Br
InChI
InChI=1S/C12H26BrN.BrH/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;/h1-12,14H2;1H
InChIKey
IBCCPATXXWXOQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.34
TPSA
26.02

LogP / Solubility

WLOGP
4.82
MLOGP
4.26
XLogP3
4.82
Consensus LogP
4.63
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us