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CAS 1822-25-9 1-BROMO-3-(BROMOMETHYL)ADAMANTANE molecular structure lightbox
CAS RN: 1822-25-9

1-BROMO-3-(BROMOMETHYL)ADAMANTANE

  • Product code: SSC-083220
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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: 0.25g
  • 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 1822-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1822-25-9 / 1-bromo-3-(bromomethyl)adamantane

Standard CAS: 1822-25-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1822-25-9
Multi CAS
No
Molecular Formula
C11H16Br2
Molecular Weight
308.050000
Exact Mass
307.959830
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)CBr
InChI
InChI=1S/C11H16Br2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7H2
InChIKey
SKQVGBXLHPBGHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
62.57
TPSA
0.0000

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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