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: 500ml
- 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 |
|---|---|---|---|---|
| 500ml | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2425-54-9 / 1-chlorotetradecane
Basic Information
CAS
2425-54-9
Multi CAS
No
Molecular Formula
C14H29Cl
Molecular Weight
232.830000
Exact Mass
232.195779
SMILES
CCCCCCCCCCCCCCCl
InChI
InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKey
RNHWYOLIEJIAMV-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
Molar refractivity
71.8
TPSA
0.0000
LogP / Solubility
WLOGP
5.93
MLOGP
5.22
XLogP3
7.9
Consensus LogP
6.35
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.07
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
1.5
Customers Also Viewed
-
1,3-Dibromoadamantane (purified by sublimation)
- CAS RN: 876-53-9
- Product Code: SSC-197743
-
-
-
-
-
