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CAS 111324-04-0 1-TERT-BUTYL-4,4,4-TRIS(DIMETHYLAMINO)-2,2-BIS[TRIS(DIMETHYLAMINO)-PHOSPHORANYLIDE-NAMINO]-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE) molecular structure lightbox
CAS RN: 111324-04-0

1-TERT-BUTYL-4,4,4-TRIS(DIMETHYLAMINO)-2,2-BIS[TRIS(DIMETHYLAMINO)-PHOSPHORANYLIDE-NAMINO]-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 1ml In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250809 25ml In stock Shanghai Inquiry
Batchno.20250530 5ml In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS111324-04-0
  • Purity/Analytical Methods: >99.0%
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111324-04-0 / N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine

tert-Buty-P4 | Schwesinger P4 base | P4-tert-buty

Standard CAS: 111324-04-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111324-04-0
Multi CAS
Yes
Molecular Formula
C22H63N13P4
Molecular Weight
633.700000
Exact Mass
633.427987
SMILES
CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3
InChIKey
NSRBCQCXZAYQHF-UHFFFAOYSA-N
Synonyms
tert-Buty-P4 Schwesinger P4 base P4-tert-buty 114S812CQB (tert-Butylimino)tris((tris(dimethylamino)phosphoranylidene)amino)phosphorane

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
180.33
TPSA
78.6

LogP / Solubility

WLOGP
5.62
MLOGP
5
XLogP3
3.7
Consensus LogP
4.77
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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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