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CAS 1104-21-8 4,4′,4”-phosphinetriyltris[N,N-dimethylaniline] molecular structure lightbox
CAS RN: 1104-21-8

4,4′,4”-phosphinetriyltris[N,N-dimethylaniline]

  • Product code: SSC-011483
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1104-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1104-21-8 / 4-bis[4-(dimethylamino)phenyl]phosphanyl-N,N-dimethylaniline

RefChem:1078181 | DTXSID101067733 | Benzenamine, phosphinidynetris(N,N-dimethyl-

Standard CAS: 1104-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1104-21-8
Multi CAS
No
Molecular Formula
C24H30N3P
Molecular Weight
391.500000
Exact Mass
391.217735
SMILES
CN(C)C1=CC=C(C=C1)P(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H30N3P/c1-25(2)19-7-13-22(14-8-19)28(23-15-9-20(10-16-23)26(3)4)24-17-11-21(12-18-24)27(5)6/h7-18H,1-6H3
InChIKey
GNETVOUSGGAEDK-UHFFFAOYSA-N
Synonyms
RefChem:1078181 DTXSID101067733 Benzenamine, phosphinidynetris(N,N-dimethyl- 250-201-4 Phosphinetriyltris(N,N-dimethylaniline)

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
128.13
TPSA
9.72

LogP / Solubility

WLOGP
3.64
MLOGP
3.23
XLogP3
5
Consensus LogP
3.96
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

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

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