CAS RN: 1326805-03-1
Bis(2-(di-tert-butylphosphino)ethyl)amine hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-039479
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1326805-03-1 / 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydrochloride
Basic Information
CAS
1326805-03-1
Multi CAS
No
Molecular Formula
C20H46ClNP2
Molecular Weight
398.000000
Exact Mass
397.279402
SMILES
CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl
InChI
InChI=1S/C20H45NP2.ClH/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;/h21H,13-16H2,1-12H3;1H
InChIKey
KORUJZNDMCQEGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
122.7
TPSA
12.03
LogP / Solubility
WLOGP
7.16
MLOGP
6.32
XLogP3
7.16
Consensus LogP
6.88
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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