[email protected]
CAS 82102-69-0 8-(bromomethyl)heptadecane molecular structure lightbox
CAS RN: 82102-69-0

8-(bromomethyl)heptadecane

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS82102-69-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

82102-69-0 / 8-(bromomethyl)heptadecane

Standard CAS: 82102-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82102-69-0
Multi CAS
No
Molecular Formula
C18H37BR
Molecular Weight
333.400000
Exact Mass
332.207860
InChI
InChI=1S/C18H37Br/c1-3-5-7-9-10-12-14-16-18(17-19)15-13-11-8-6-4-2/h18H,3-17H2,1-2H3
InChIKey
HQILOMHBUXBHBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
15
Molar refractivity
93.27
TPSA
0.0000

LogP / Solubility

WLOGP
7.5
MLOGP
6.61
XLogP3
9.5
Consensus LogP
7.87
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us