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: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
20236-81-1 / tris-decyl borate
Basic Information
CAS
20236-81-1
Multi CAS
No
Molecular Formula
C30H63BO3
Molecular Weight
482.600000
Exact Mass
482.487026
SMILES
B(OCCCCCCCCCC)(OCCCCCCCCCC)OCCCCCCCCCC
InChI
InChI=1S/C30H63BO3/c1-4-7-10-13-16-19-22-25-28-32-31(33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKey
WAXLMVCEFHKADZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
30
H-bond acceptors
3
Molar refractivity
151.44
TPSA
27.69
LogP / Solubility
WLOGP
10.44
MLOGP
9.22
XLogP3
10.44
Consensus LogP
10.03
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-11.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.07
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
Yes
Log Kp (skin permeation)
1.75
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
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
