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CAS 111324-03-9 1-TERT-BUTYL-2,2,4,4,4-PENTAKIS(DIMETHYLAMINO)-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE) molecular structure lightbox
CAS RN: 111324-03-9

1-TERT-BUTYL-2,2,4,4,4-PENTAKIS(DIMETHYLAMINO)-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE)

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 1ml In stock Shanghai, Shandong Inquiry
Batchno.20250702 5ml In stock Shanghai Inquiry
  • Product code: starshine_CAS111324-03-9
  • Purity/Analytical Methods: >99.0%
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111324-03-9 / N-[tert-butylimino-(dimethylamino)-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine

DTXSID30401465 | RefChem:369989 | DTXCID10352320

Standard CAS: 111324-03-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111324-03-9
Multi CAS
No
Molecular Formula
C14H39N7P2
Molecular Weight
367.450000
Exact Mass
367.274218
SMILES
CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3
InChIKey
CJTQESMNKMUZAO-UHFFFAOYSA-N
Synonyms
DTXSID30401465 RefChem:369989 DTXCID10352320 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2Lambda5,4Lambda5-catenadi(phosphazene) N-[tert-butylimino-(dimethylamino)-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
106.88
TPSA
40.92

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
2.4
Consensus LogP
2.99
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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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