CAS RN: 161118-69-0
PHOSPHAZENE BASE P1-T-OCT
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 1ml | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS161118-69-0
- Purity/Analytical Methods: >99.0%
161118-69-0 / N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine
Basic Information
CAS
161118-69-0
Multi CAS
No
Molecular Formula
C14H35N4P
Molecular Weight
290.430000
Exact Mass
290.259934
SMILES
CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3
InChIKey
DSCJCKAURXOQPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
88.56
TPSA
22.08
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
3.4
Consensus LogP
3.54
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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