[email protected]
CAS 6271-23-4 Ethyl 11-Bromoundecanoate molecular structure lightbox
CAS RN: 6271-23-4

Ethyl 11-Bromoundecanoate

  • Product code: SSC-172010
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: 5g
  • Available purity: >96%
  • 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 6271-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >96% 0 Out of Stock Beijing Inquiry

6271-23-4 / ethyl 11-bromoundecanoate

Standard CAS: 6271-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6271-23-4
Multi CAS
Yes
Molecular Formula
C13H25BRO2
Molecular Weight
293.240000
Exact Mass
292.103790
InChI
InChI=1S/C13H25BrO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
InChIKey
RGWOAXNKJWTDFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
71.98
TPSA
26.3

LogP / Solubility

WLOGP
4.46
MLOGP
3.93
XLogP3
5
Consensus LogP
4.46
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble

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)
-1.35

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