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CAS 854929-36-5 1,3-Bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-Oxide molecular structure lightbox
CAS RN: 854929-36-5

1,3-Bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-Oxide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260517 100mg In stock Inquiry
Batchno.20260602 1g In stock Inquiry
Batchno.20260207 250mg In stock Inquiry
  • Product code: SSC-193922
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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: ≥98%
  • 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 854929-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

854929-36-5 / 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-hydroxy-1,3,2-diazaphospholidine

Standard CAS: 854929-36-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854929-36-5
Multi CAS
Yes
Molecular Formula
C26H39N2OP
Molecular Weight
426.600000
Exact Mass
426.280001
InChI
InChI=1S/C26H39N2OP/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28(30(27)29)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,29H,15-16H2,1-8H3
InChIKey
VMDXRFOMNQBWMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
133.07
TPSA
26.71

LogP / Solubility

WLOGP
7.73
MLOGP
6.83
XLogP3
7.7
Consensus LogP
7.42
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16

Drug-likeness / Medicinal Chemistry

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

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