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CAS 81675-81-2 PHOSPHAZENE BASE P1-T-BU molecular structure lightbox
CAS RN: 81675-81-2

PHOSPHAZENE BASE P1-T-BU

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Batchno.20251113 1ml In stock Shanghai Inquiry
  • Product code: starshine_CAS81675-81-2
  • Purity/Analytical Methods: >99.0%
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81675-81-2 / N-[tert-butylimino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine

Standard CAS: 81675-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81675-81-2
Multi CAS
No
Molecular Formula
C10H27N4P
Molecular Weight
234.320000
Exact Mass
234.197334
InChI
InChI=1S/C10H27N4P/c1-10(2,3)11-15(12(4)5,13(6)7)14(8)9/h1-9H3
InChIKey
YRNOSHBJMBLOSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
70.16
TPSA
22.08

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

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

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