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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
676-26-6 / 14-bromotetradecanoic acid
Basic Information
CAS
676-26-6
Multi CAS
No
Molecular Formula
C14H27BRO2
Molecular Weight
307.270000
Exact Mass
306.119440
InChI
InChI=1S/C14H27BrO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-13H2,(H,16,17)
InChIKey
VQPWMWLQABFAIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.83
TPSA
37.3
LogP / Solubility
WLOGP
5.15
MLOGP
4.54
XLogP3
5.1
Consensus LogP
4.93
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
