[email protected]
CAS 54088-99-2 1-BROMO-7-METHYLOCTANE molecular structure lightbox
CAS RN: 54088-99-2

1-BROMO-7-METHYLOCTANE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54088-99-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54088-99-2 / 1-bromo-7-methyloctane

Standard CAS: 54088-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54088-99-2
Multi CAS
No
Molecular Formula
C9H19BR
Molecular Weight
207.150000
Exact Mass
206.067010
InChI
InChI=1S/C9H19Br/c1-9(2)7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
InChIKey
AILBUXWGBTVZKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
Molar refractivity
51.72
TPSA
0.0000

LogP / Solubility

WLOGP
3.99
MLOGP
3.51
XLogP3
5.2
Consensus LogP
4.23
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us